REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1l7v_1_B DATA FIRST_RESID 2 DATA SEQUENCE LTLARQQQRQ NIRWLLCLSV LXLLALLLSL CAGEQWISPG DWFTPRGELF DATA SEQUENCE VWQIRLPRTL AVLLVGAALA ISGAVXQALF ENPLAEPGLL GVSNGAGVGL DATA SEQUENCE IAAVLLGQGQ LPNWALGLCA IAGALIITLI LLRFARRHLS TSRLLLAGVA DATA SEQUENCE LGIICSALXT WAIYFSTSVD LRQLXYWXXG GFGGVDWRQS WLXLALIPVL DATA SEQUENCE LWICCQSRPX NXLALGEISA RQLGLPLWFW RNVLVAATGW XVGVSVALAG DATA SEQUENCE AIGFIGLVIP HILRLCGLTD HRVLLPGCAL AGASALLLAD IVARLALAAA DATA SEQUENCE ELPIGVVTAT LGAPVFIWLL LKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.871 176.870 0.002 0.000 1.165 2 L CA 0.000 54.840 54.840 0.001 0.000 0.813 2 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 3 T N 2.769 117.324 114.554 0.003 0.000 2.529 3 T HA -0.190 4.160 4.350 0.000 0.000 0.261 3 T C 1.684 176.388 174.700 0.006 0.000 1.110 3 T CA 2.184 64.287 62.100 0.004 0.000 1.192 3 T CB -0.346 68.525 68.868 0.004 0.000 0.864 3 T HN 0.535 nan 8.240 nan 0.000 0.407 4 L N 0.750 121.975 121.223 0.005 0.000 2.151 4 L HA -0.268 4.072 4.340 0.000 0.000 0.215 4 L C 2.922 179.796 176.870 0.006 0.000 1.084 4 L CA 1.389 56.232 54.840 0.005 0.000 0.764 4 L CB -0.733 41.327 42.059 0.002 0.000 0.891 4 L HN 0.329 nan 8.230 nan 0.000 0.435 5 A N -0.046 122.776 122.820 0.003 0.000 1.841 5 A HA -0.242 4.078 4.320 0.000 0.000 0.214 5 A C 2.411 180.000 177.584 0.007 0.000 1.195 5 A CA 1.731 53.770 52.037 0.003 0.000 0.611 5 A CB -0.616 18.384 19.000 -0.000 0.000 0.835 5 A HN 0.350 nan 8.150 nan 0.000 0.443 6 R N -0.414 120.091 120.500 0.008 0.000 2.096 6 R HA -0.240 4.100 4.340 0.000 0.000 0.240 6 R C 2.414 178.724 176.300 0.016 0.000 1.139 6 R CA 2.156 58.263 56.100 0.011 0.000 0.952 6 R CB -0.380 29.925 30.300 0.009 0.000 0.854 6 R HN 0.724 nan 8.270 nan 0.000 0.436 7 Q N -0.235 119.575 119.800 0.017 0.000 2.002 7 Q HA -0.268 4.073 4.340 0.000 0.000 0.204 7 Q C 2.231 178.251 176.000 0.034 0.000 0.988 7 Q CA 1.914 57.731 55.803 0.024 0.000 0.843 7 Q CB -0.188 28.563 28.738 0.022 0.000 0.908 7 Q HN 0.266 nan 8.270 nan 0.000 0.420 8 Q N 1.068 120.885 119.800 0.029 0.000 2.096 8 Q HA -0.279 4.061 4.340 0.000 0.000 0.208 8 Q C 1.905 177.932 176.000 0.045 0.000 0.993 8 Q CA 2.237 58.062 55.803 0.035 0.000 0.862 8 Q CB -0.326 28.421 28.738 0.015 0.000 0.915 8 Q HN 0.407 nan 8.270 nan 0.000 0.416 9 Q N -0.417 119.401 119.800 0.031 0.000 2.112 9 Q HA -0.278 4.062 4.340 0.000 0.000 0.206 9 Q C 2.150 178.179 176.000 0.048 0.000 0.987 9 Q CA 1.844 57.667 55.803 0.033 0.000 0.858 9 Q CB -0.202 28.549 28.738 0.020 0.000 0.905 9 Q HN 0.395 nan 8.270 nan 0.000 0.420 10 R N -0.026 120.500 120.500 0.045 0.000 2.088 10 R HA -0.198 4.143 4.340 0.000 0.000 0.232 10 R C 2.332 178.675 176.300 0.071 0.000 1.136 10 R CA 2.176 58.302 56.100 0.044 0.000 0.926 10 R CB -0.261 30.058 30.300 0.032 0.000 0.837 10 R HN 0.415 nan 8.270 nan 0.000 0.429 11 Q N -0.053 119.805 119.800 0.097 0.000 2.197 11 Q HA -0.187 4.154 4.340 0.000 0.000 0.207 11 Q C 1.842 178.026 176.000 0.306 0.000 0.984 11 Q CA 1.586 57.492 55.803 0.172 0.000 0.869 11 Q CB -0.179 28.687 28.738 0.212 0.000 0.906 11 Q HN 0.441 nan 8.270 nan 0.000 0.426 12 N N 0.543 119.371 118.700 0.214 0.000 2.106 12 N HA -0.110 4.630 4.740 0.000 0.000 0.188 12 N C 1.718 177.347 175.510 0.197 0.000 1.029 12 N CA 0.985 54.162 53.050 0.212 0.000 0.848 12 N CB -0.183 38.359 38.487 0.092 0.000 1.007 12 N HN 0.200 nan 8.380 nan 0.000 0.423 13 I N 1.559 122.199 120.570 0.116 0.000 2.264 13 I HA -0.201 3.969 4.170 0.000 0.000 0.248 13 I C 2.452 178.610 176.117 0.069 0.000 1.111 13 I CA 0.812 62.160 61.300 0.079 0.000 1.382 13 I CB -0.923 37.105 38.000 0.045 0.000 1.060 13 I HN 0.240 nan 8.210 nan 0.000 0.418 14 R N 0.381 120.913 120.500 0.053 0.000 2.080 14 R HA -0.228 4.112 4.340 0.000 0.000 0.236 14 R C 2.393 178.641 176.300 -0.086 0.000 1.137 14 R CA 2.171 58.236 56.100 -0.060 0.000 0.943 14 R CB -0.446 29.766 30.300 -0.147 0.000 0.846 14 R HN 0.277 nan 8.270 nan 0.000 0.431 15 W N 1.079 122.383 121.300 0.006 0.000 2.355 15 W HA -0.084 4.576 4.660 0.000 0.000 0.309 15 W C 2.218 178.741 176.519 0.007 0.000 1.206 15 W CA 0.749 58.099 57.345 0.008 0.000 1.284 15 W CB -0.543 28.923 29.460 0.010 0.000 1.145 15 W HN 0.077 nan 8.180 nan 0.000 0.502 16 L N -0.138 121.228 121.223 0.239 0.000 2.263 16 L HA -0.231 4.109 4.340 0.000 0.000 0.216 16 L C 2.223 179.144 176.870 0.085 0.000 1.111 16 L CA 0.719 55.641 54.840 0.137 0.000 0.773 16 L CB -0.816 41.300 42.059 0.097 0.000 0.906 16 L HN 0.129 nan 8.230 nan 0.000 0.439 17 L N -0.653 120.604 121.223 0.057 0.000 2.062 17 L HA -0.116 4.225 4.340 0.000 0.000 0.202 17 L C 2.628 179.503 176.870 0.008 0.000 1.079 17 L CA 1.615 56.465 54.840 0.017 0.000 0.755 17 L CB -0.619 41.432 42.059 -0.014 0.000 0.913 17 L HN 0.180 nan 8.230 nan 0.000 0.445 18 C N -0.199 119.085 119.300 -0.027 0.000 2.385 18 C HA -0.224 4.237 4.460 0.000 0.000 0.275 18 C C 2.796 177.804 174.990 0.030 0.000 1.207 18 C CA 1.116 60.111 59.018 -0.039 0.000 1.760 18 C CB -1.297 26.362 27.740 -0.136 0.000 2.051 18 C HN 0.556 nan 8.230 nan 0.000 0.467 19 L N 0.426 121.704 121.223 0.092 0.000 2.017 19 L HA -0.170 4.171 4.340 0.000 0.000 0.208 19 L C 2.810 179.720 176.870 0.066 0.000 1.073 19 L CA 1.803 56.707 54.840 0.106 0.000 0.745 19 L CB -0.773 41.373 42.059 0.146 0.000 0.894 19 L HN 0.375 nan 8.230 nan 0.000 0.432 20 S N -0.680 115.053 115.700 0.056 0.000 2.387 20 S HA -0.169 4.301 4.470 0.000 0.000 0.230 20 S C 1.875 176.495 174.600 0.032 0.000 1.035 20 S CA 1.346 59.571 58.200 0.041 0.000 1.014 20 S CB -0.094 63.127 63.200 0.036 0.000 0.836 20 S HN 0.193 nan 8.310 nan 0.000 0.466 21 V N 1.717 121.646 119.914 0.026 0.000 2.239 21 V HA 0.034 4.154 4.120 0.000 0.000 0.242 21 V C 1.649 177.757 176.094 0.023 0.000 1.038 21 V CA 1.163 63.474 62.300 0.018 0.000 1.002 21 V CB -0.735 31.090 31.823 0.003 0.000 0.641 21 V HN 0.544 nan 8.190 nan 0.000 0.449 25 L N 1.507 122.750 121.223 0.032 0.000 2.263 25 L HA -0.123 4.217 4.340 0.000 0.000 0.216 25 L C 2.307 179.198 176.870 0.034 0.000 1.111 25 L CA 2.303 57.160 54.840 0.029 0.000 0.773 25 L CB -0.250 41.821 42.059 0.019 0.000 0.906 25 L HN 0.393 nan 8.230 nan 0.000 0.439 26 A N -1.875 120.964 122.820 0.032 0.000 1.956 26 A HA 0.010 4.330 4.320 0.000 0.000 0.212 26 A C 2.021 179.625 177.584 0.034 0.000 1.188 26 A CA 0.758 52.811 52.037 0.027 0.000 0.675 26 A CB -0.562 18.446 19.000 0.013 0.000 0.845 26 A HN 0.325 nan 8.150 nan 0.000 0.455 27 L N -0.135 121.112 121.223 0.041 0.000 2.046 27 L HA -0.110 4.231 4.340 0.000 0.000 0.208 27 L C 2.106 179.038 176.870 0.105 0.000 1.077 27 L CA 1.539 56.410 54.840 0.052 0.000 0.747 27 L CB -0.443 41.650 42.059 0.057 0.000 0.896 27 L HN 0.264 nan 8.230 nan 0.000 0.432 28 L N -0.990 120.305 121.223 0.120 0.000 1.961 28 L HA -0.227 4.113 4.340 0.000 0.000 0.210 28 L C 2.607 179.585 176.870 0.181 0.000 1.072 28 L CA 1.981 56.926 54.840 0.174 0.000 0.749 28 L CB -1.365 40.751 42.059 0.095 0.000 0.889 28 L HN 0.387 nan 8.230 nan 0.000 0.432 29 L N -0.408 120.882 121.223 0.111 0.000 2.137 29 L HA -0.252 4.088 4.340 0.000 0.000 0.213 29 L C 2.825 179.756 176.870 0.102 0.000 1.085 29 L CA 2.002 56.903 54.840 0.101 0.000 0.760 29 L CB -0.547 41.548 42.059 0.060 0.000 0.893 29 L HN 0.254 nan 8.230 nan 0.000 0.434 30 S N -1.069 114.676 115.700 0.075 0.000 2.368 30 S HA -0.107 4.364 4.470 0.000 0.000 0.224 30 S C 1.892 176.525 174.600 0.054 0.000 1.029 30 S CA 1.261 59.484 58.200 0.037 0.000 0.988 30 S CB -0.348 62.844 63.200 -0.013 0.000 0.838 30 S HN 0.518 nan 8.310 nan 0.000 0.462 31 L N 0.511 121.796 121.223 0.103 0.000 2.465 31 L HA 0.005 4.346 4.340 0.000 0.000 0.224 31 L C 2.090 179.073 176.870 0.188 0.000 1.145 31 L CA 0.302 55.185 54.840 0.072 0.000 0.834 31 L CB -0.369 41.738 42.059 0.080 0.000 0.944 31 L HN 0.481 nan 8.230 nan 0.000 0.451 32 C N -0.772 118.693 119.300 0.276 0.000 2.535 32 C HA 0.394 4.854 4.460 0.000 0.000 0.310 32 C C 1.420 176.534 174.990 0.207 0.000 1.344 32 C CA -0.428 58.784 59.018 0.323 0.000 1.831 32 C CB -0.198 27.735 27.740 0.322 0.000 2.284 32 C HN 0.408 nan 8.230 nan 0.000 0.523 33 A N 0.174 123.090 122.820 0.160 0.000 2.292 33 A HA 0.658 4.978 4.320 0.000 0.000 0.319 33 A C 0.638 178.277 177.584 0.093 0.000 1.206 33 A CA 0.498 52.618 52.037 0.138 0.000 0.835 33 A CB 0.529 19.603 19.000 0.123 0.000 1.164 33 A HN 0.505 nan 8.150 nan 0.000 0.505 34 G N 0.506 109.362 108.800 0.093 0.000 2.522 34 G HA2 0.268 4.228 3.960 0.000 0.000 0.177 34 G HA3 0.268 4.228 3.960 0.000 0.000 0.177 34 G C 0.686 175.641 174.900 0.091 0.000 1.298 34 G CA 0.561 45.712 45.100 0.085 0.000 0.670 34 G HN 0.593 nan 8.290 nan 0.000 0.664 35 E N -0.587 119.677 120.200 0.107 0.000 2.713 35 E HA 0.217 4.567 4.350 0.000 0.000 0.201 35 E C 0.260 176.927 176.600 0.111 0.000 0.935 35 E CA 0.012 56.473 56.400 0.103 0.000 1.273 35 E CB 0.779 30.545 29.700 0.109 0.000 1.221 35 E HN 0.236 nan 8.360 nan 0.000 0.547 36 Q N 1.115 120.966 119.800 0.086 0.000 2.266 36 Q HA 0.182 4.522 4.340 0.000 0.000 0.261 36 Q C -0.603 175.426 176.000 0.048 0.000 0.985 36 Q CA -0.869 54.974 55.803 0.068 0.000 0.873 36 Q CB 1.476 30.167 28.738 -0.078 0.000 1.306 36 Q HN 0.199 nan 8.270 nan 0.000 0.447 37 W N 2.721 124.016 121.300 -0.009 0.000 1.992 37 W HA 0.599 5.260 4.660 0.000 0.000 0.360 37 W C -0.851 175.666 176.519 -0.004 0.000 1.369 37 W CA -0.276 57.072 57.345 0.006 0.000 1.403 37 W CB 0.022 29.490 29.460 0.013 0.000 1.215 37 W HN 0.551 nan 8.180 nan 0.000 0.643 38 I N -0.072 120.536 120.570 0.063 0.000 3.334 38 I HA 0.333 4.503 4.170 0.000 0.000 0.316 38 I C -0.721 175.535 176.117 0.232 0.000 1.251 38 I CA -1.074 60.150 61.300 -0.127 0.000 0.929 38 I CB 2.105 40.123 38.000 0.029 0.000 1.317 38 I HN 0.305 nan 8.210 nan 0.000 0.479 39 S N 1.155 116.947 115.700 0.152 0.000 2.541 39 S HA 0.371 4.841 4.470 0.000 0.000 0.280 39 S C -2.256 172.116 174.600 -0.379 0.000 1.112 39 S CA -0.960 57.268 58.200 0.047 0.000 0.925 39 S CB 2.426 65.710 63.200 0.140 0.000 1.067 39 S HN 0.344 nan 8.310 nan 0.000 0.479 40 P HA -0.149 nan 4.420 nan 0.000 0.218 40 P C 1.432 178.463 177.300 -0.449 0.000 1.152 40 P CA 1.491 63.794 63.100 -1.328 0.000 0.857 40 P CB 0.027 31.284 31.700 -0.739 0.000 0.787 41 G N -0.639 108.087 108.800 -0.123 0.000 2.395 41 G HA2 -0.155 3.805 3.960 0.000 0.000 0.214 41 G HA3 -0.155 3.805 3.960 0.000 0.000 0.214 41 G C 1.029 176.067 174.900 0.231 0.000 1.177 41 G CA 0.431 45.601 45.100 0.117 0.000 0.794 41 G HN 0.190 nan 8.290 nan 0.000 0.532 42 D N -0.281 120.196 120.400 0.128 0.000 2.379 42 D HA -0.030 4.610 4.640 0.000 0.000 0.243 42 D C 1.325 177.766 176.300 0.235 0.000 1.088 42 D CA 0.130 54.205 54.000 0.126 0.000 0.925 42 D CB 0.041 40.841 40.800 0.000 0.000 0.888 42 D HN 0.366 nan 8.370 nan 0.000 0.529 43 W N 0.122 121.446 121.300 0.040 0.000 2.488 43 W HA 0.064 4.724 4.660 0.000 0.000 0.304 43 W C 1.196 177.618 176.519 -0.162 0.000 1.175 43 W CA -0.184 57.082 57.345 -0.132 0.000 1.365 43 W CB -0.995 28.271 29.460 -0.323 0.000 1.131 43 W HN -0.085 nan 8.180 nan 0.000 0.520 44 F N 1.281 121.397 119.950 0.278 0.000 2.763 44 F HA 0.137 4.664 4.527 0.000 0.000 0.309 44 F C 0.425 176.280 175.800 0.092 0.000 1.267 44 F CA 0.517 58.612 58.000 0.158 0.000 1.417 44 F CB -1.520 37.555 39.000 0.125 0.000 1.223 44 F HN -0.432 nan 8.300 nan 0.000 0.539 45 T N -0.608 114.053 114.554 0.178 0.000 2.887 45 T HA 0.223 4.573 4.350 0.000 0.000 0.288 45 T C -1.604 173.138 174.700 0.070 0.000 1.021 45 T CA -1.533 60.633 62.100 0.109 0.000 1.000 45 T CB 2.196 71.109 68.868 0.076 0.000 1.034 45 T HN -0.231 nan 8.240 nan 0.000 0.467 46 P HA -0.220 nan 4.420 nan 0.000 0.221 46 P C 1.416 178.762 177.300 0.076 0.000 1.153 46 P CA 1.450 64.582 63.100 0.054 0.000 0.858 46 P CB 0.179 31.907 31.700 0.045 0.000 0.783 47 R N -1.467 119.075 120.500 0.070 0.000 2.062 47 R HA -0.026 4.314 4.340 0.000 0.000 0.231 47 R C 2.596 178.989 176.300 0.154 0.000 1.136 47 R CA 1.534 57.705 56.100 0.118 0.000 0.948 47 R CB -1.551 28.715 30.300 -0.057 0.000 0.845 47 R HN 0.231 nan 8.270 nan 0.000 0.430 48 G N 1.734 110.552 108.800 0.030 0.000 2.513 48 G HA2 -0.323 3.637 3.960 0.000 0.000 0.219 48 G HA3 -0.323 3.637 3.960 0.000 0.000 0.219 48 G C 1.099 176.027 174.900 0.047 0.000 1.160 48 G CA 1.096 46.181 45.100 -0.024 0.000 0.767 48 G HN 0.390 nan 8.290 nan 0.000 0.571 49 E N 0.081 120.316 120.200 0.058 0.000 2.171 49 E HA -0.133 4.217 4.350 0.000 0.000 0.197 49 E C 2.461 179.158 176.600 0.161 0.000 0.997 49 E CA 0.744 57.187 56.400 0.071 0.000 0.810 49 E CB -0.186 29.519 29.700 0.008 0.000 0.738 49 E HN 0.477 nan 8.360 nan 0.000 0.467 50 L N -0.251 121.074 121.223 0.172 0.000 1.947 50 L HA -0.094 4.247 4.340 0.000 0.000 0.211 50 L C 2.092 179.040 176.870 0.131 0.000 1.098 50 L CA 0.733 55.653 54.840 0.133 0.000 0.767 50 L CB -0.797 41.324 42.059 0.104 0.000 0.891 50 L HN 0.019 nan 8.230 nan 0.000 0.436 51 F N 0.296 120.231 119.950 -0.025 0.000 1.995 51 F HA -0.224 4.304 4.527 0.000 0.000 0.300 51 F C 2.482 178.214 175.800 -0.112 0.000 1.256 51 F CA 1.234 59.191 58.000 -0.072 0.000 1.191 51 F CB -1.572 37.366 39.000 -0.103 0.000 0.950 51 F HN -0.237 nan 8.300 nan 0.000 0.517 52 V N -1.476 118.457 119.914 0.031 0.000 2.402 52 V HA -0.366 3.754 4.120 0.000 0.000 0.264 52 V C 1.813 177.817 176.094 -0.150 0.000 1.112 52 V CA 2.365 64.494 62.300 -0.285 0.000 1.110 52 V CB -0.859 30.541 31.823 -0.706 0.000 0.689 52 V HN 0.633 nan 8.190 nan 0.000 0.459 53 W N -0.946 120.293 121.300 -0.101 0.000 2.798 53 W HA 0.090 4.750 4.660 0.000 0.000 0.260 53 W C 2.523 179.218 176.519 0.293 0.000 1.165 53 W CA 0.517 57.897 57.345 0.060 0.000 1.501 53 W CB 0.239 29.721 29.460 0.036 0.000 1.023 53 W HN 0.078 nan 8.180 nan 0.000 0.615 54 Q N -0.195 119.879 119.800 0.456 0.000 2.408 54 Q HA 0.104 4.444 4.340 0.000 0.000 0.205 54 Q C 1.425 177.424 176.000 -0.001 0.000 0.919 54 Q CA 0.831 56.877 55.803 0.405 0.000 0.932 54 Q CB 0.571 29.528 28.738 0.365 0.000 1.058 54 Q HN 0.375 nan 8.270 nan 0.000 0.517 55 I N -1.147 119.367 120.570 -0.093 0.000 3.818 55 I HA 0.001 4.172 4.170 0.000 0.000 0.242 55 I C 1.786 177.756 176.117 -0.245 0.000 1.111 55 I CA -0.373 60.819 61.300 -0.180 0.000 1.576 55 I CB -0.070 37.849 38.000 -0.136 0.000 1.572 55 I HN -0.057 nan 8.210 nan 0.000 0.450 56 R N 1.406 121.803 120.500 -0.171 0.000 2.113 56 R HA -0.184 4.157 4.340 0.000 0.000 0.231 56 R C 2.190 178.318 176.300 -0.288 0.000 1.129 56 R CA 1.471 57.459 56.100 -0.187 0.000 0.915 56 R CB -1.538 28.671 30.300 -0.151 0.000 0.837 56 R HN 0.219 nan 8.270 nan 0.000 0.430 57 L N 1.580 122.604 121.223 -0.331 0.000 2.011 57 L HA -0.199 4.141 4.340 0.000 0.000 0.225 57 L C -0.840 175.702 176.870 -0.546 0.000 1.084 57 L CA 2.398 57.018 54.840 -0.367 0.000 0.791 57 L CB -1.537 40.319 42.059 -0.338 0.000 0.898 57 L HN 0.153 nan 8.230 nan 0.000 0.440 58 P HA -0.228 nan 4.420 nan 0.000 0.214 58 P C 1.612 178.584 177.300 -0.547 0.000 1.169 58 P CA 1.895 64.248 63.100 -1.245 0.000 0.908 58 P CB -0.149 30.623 31.700 -1.547 0.000 0.791 59 R N -0.764 119.503 120.500 -0.390 0.000 2.082 59 R HA -0.128 4.212 4.340 0.000 0.000 0.234 59 R C 2.109 178.298 176.300 -0.183 0.000 1.136 59 R CA 2.586 58.579 56.100 -0.179 0.000 0.935 59 R CB -1.293 28.924 30.300 -0.137 0.000 0.842 59 R HN 0.085 nan 8.270 nan 0.000 0.430 60 T N 1.326 115.754 114.554 -0.210 0.000 2.803 60 T HA -0.130 4.221 4.350 0.000 0.000 0.269 60 T C 1.667 176.276 174.700 -0.150 0.000 1.052 60 T CA 1.297 63.290 62.100 -0.179 0.000 1.136 60 T CB -0.089 68.699 68.868 -0.134 0.000 0.864 60 T HN 0.187 nan 8.240 nan 0.000 0.467 61 L N 0.318 121.448 121.223 -0.154 0.000 2.109 61 L HA 0.015 4.355 4.340 0.000 0.000 0.207 61 L C 3.044 179.891 176.870 -0.039 0.000 1.086 61 L CA 1.034 55.821 54.840 -0.089 0.000 0.760 61 L CB -0.665 41.340 42.059 -0.090 0.000 0.910 61 L HN 0.256 nan 8.230 nan 0.000 0.437 62 A N -0.085 122.724 122.820 -0.018 0.000 1.902 62 A HA -0.142 4.179 4.320 0.000 0.000 0.217 62 A C 2.308 180.012 177.584 0.200 0.000 1.181 62 A CA 1.618 53.740 52.037 0.142 0.000 0.623 62 A CB -0.765 18.391 19.000 0.261 0.000 0.818 62 A HN 0.176 nan 8.150 nan 0.000 0.443 63 V N 0.519 120.364 119.914 -0.115 0.000 2.231 63 V HA -0.328 3.792 4.120 0.000 0.000 0.248 63 V C 2.561 178.582 176.094 -0.122 0.000 1.054 63 V CA 2.126 64.154 62.300 -0.454 0.000 1.015 63 V CB -1.062 30.365 31.823 -0.661 0.000 0.638 63 V HN 0.585 nan 8.190 nan 0.000 0.444 64 L N -0.643 120.525 121.223 -0.091 0.000 1.965 64 L HA -0.287 4.053 4.340 0.000 0.000 0.226 64 L C 2.527 179.401 176.870 0.007 0.000 1.083 64 L CA 2.119 56.939 54.840 -0.034 0.000 0.790 64 L CB -0.894 41.152 42.059 -0.022 0.000 0.898 64 L HN 0.313 nan 8.230 nan 0.000 0.439 65 L N -0.851 120.388 121.223 0.027 0.000 1.971 65 L HA -0.261 4.079 4.340 0.000 0.000 0.215 65 L C 2.586 179.493 176.870 0.062 0.000 1.072 65 L CA 1.343 56.207 54.840 0.039 0.000 0.758 65 L CB -0.889 41.198 42.059 0.047 0.000 0.889 65 L HN 0.122 nan 8.230 nan 0.000 0.433 66 V N 0.433 120.423 119.914 0.128 0.000 2.332 66 V HA -0.248 3.872 4.120 0.000 0.000 0.248 66 V C 2.637 178.804 176.094 0.121 0.000 1.055 66 V CA 2.104 64.501 62.300 0.161 0.000 1.038 66 V CB -1.328 30.701 31.823 0.344 0.000 0.651 66 V HN 0.610 nan 8.190 nan 0.000 0.450 67 G N -0.400 108.460 108.800 0.100 0.000 2.453 67 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 67 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 67 G C 1.774 176.695 174.900 0.036 0.000 1.201 67 G CA 1.015 46.150 45.100 0.058 0.000 0.784 67 G HN 0.626 nan 8.290 nan 0.000 0.545 68 A N 0.849 123.683 122.820 0.023 0.000 2.024 68 A HA 0.246 4.566 4.320 0.000 0.000 0.220 68 A C 2.680 180.266 177.584 0.003 0.000 1.164 68 A CA 2.289 54.332 52.037 0.011 0.000 0.643 68 A CB -0.576 18.427 19.000 0.006 0.000 0.806 68 A HN 0.747 nan 8.150 nan 0.000 0.451 69 A N -0.003 122.822 122.820 0.008 0.000 1.823 69 A HA 0.071 4.391 4.320 0.000 0.000 0.214 69 A C 2.030 179.615 177.584 0.001 0.000 1.225 69 A CA 1.200 53.232 52.037 -0.007 0.000 0.604 69 A CB -0.891 18.106 19.000 -0.005 0.000 0.878 69 A HN 0.423 nan 8.150 nan 0.000 0.450 70 L N -0.418 120.815 121.223 0.018 0.000 2.103 70 L HA -0.347 3.993 4.340 0.000 0.000 0.215 70 L C 3.042 179.910 176.870 -0.003 0.000 1.080 70 L CA 1.444 56.291 54.840 0.012 0.000 0.764 70 L CB -0.804 41.276 42.059 0.035 0.000 0.890 70 L HN 0.526 nan 8.230 nan 0.000 0.435 71 A N 0.439 123.261 122.820 0.004 0.000 1.845 71 A HA -0.195 4.125 4.320 0.000 0.000 0.215 71 A C 2.191 179.763 177.584 -0.021 0.000 1.195 71 A CA 1.763 53.795 52.037 -0.007 0.000 0.616 71 A CB -0.696 18.306 19.000 0.003 0.000 0.832 71 A HN 0.336 nan 8.150 nan 0.000 0.443 72 I N 0.022 120.583 120.570 -0.014 0.000 2.208 72 I HA -0.273 3.897 4.170 0.000 0.000 0.245 72 I C 2.747 178.853 176.117 -0.019 0.000 1.097 72 I CA 1.516 62.806 61.300 -0.017 0.000 1.363 72 I CB -0.525 37.464 38.000 -0.018 0.000 1.051 72 I HN 0.285 nan 8.210 nan 0.000 0.413 73 S N 1.018 116.708 115.700 -0.017 0.000 2.377 73 S HA -0.233 4.237 4.470 0.000 0.000 0.224 73 S C 2.168 176.747 174.600 -0.035 0.000 1.042 73 S CA 1.731 59.922 58.200 -0.015 0.000 1.086 73 S CB -1.164 62.027 63.200 -0.015 0.000 0.995 73 S HN 0.658 nan 8.310 nan 0.000 0.428 74 G N 1.570 110.335 108.800 -0.057 0.000 2.513 74 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 74 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 74 G C 1.568 176.421 174.900 -0.078 0.000 1.160 74 G CA 1.391 46.438 45.100 -0.089 0.000 0.767 74 G HN 0.633 nan 8.290 nan 0.000 0.571 75 A N 0.243 123.028 122.820 -0.059 0.000 1.849 75 A HA 0.089 4.409 4.320 0.000 0.000 0.217 75 A C 1.782 179.359 177.584 -0.010 0.000 1.202 75 A CA 1.564 53.585 52.037 -0.027 0.000 0.629 75 A CB -1.038 17.964 19.000 0.004 0.000 0.834 75 A HN 0.394 nan 8.150 nan 0.000 0.447 79 A N 1.239 124.124 122.820 0.109 0.000 1.855 79 A HA -0.093 4.227 4.320 0.000 0.000 0.215 79 A C 1.862 179.529 177.584 0.138 0.000 1.191 79 A CA 1.327 53.417 52.037 0.090 0.000 0.613 79 A CB -0.714 18.258 19.000 -0.048 0.000 0.829 79 A HN 0.270 nan 8.150 nan 0.000 0.442 80 L N -1.805 119.535 121.223 0.195 0.000 1.971 80 L HA -0.199 4.141 4.340 0.000 0.000 0.215 80 L C 2.158 179.152 176.870 0.207 0.000 1.072 80 L CA 1.528 56.499 54.840 0.218 0.000 0.758 80 L CB -0.728 41.515 42.059 0.306 0.000 0.889 80 L HN 0.391 nan 8.230 nan 0.000 0.433 81 F N 0.051 120.036 119.950 0.058 0.000 2.816 81 F HA 0.010 4.537 4.527 0.000 0.000 0.302 81 F C 0.926 176.764 175.800 0.064 0.000 1.178 81 F CA -0.257 57.781 58.000 0.062 0.000 1.421 81 F CB -1.109 37.922 39.000 0.052 0.000 1.114 81 F HN 0.154 nan 8.300 nan 0.000 0.573 82 E N 1.005 121.337 120.200 0.221 0.000 2.238 82 E HA -0.313 4.037 4.350 0.000 0.000 0.219 82 E C -0.384 176.309 176.600 0.155 0.000 1.275 82 E CA 0.460 56.951 56.400 0.152 0.000 0.714 82 E CB -1.615 28.151 29.700 0.109 0.000 1.154 82 E HN 0.485 nan 8.360 nan 0.000 0.363 83 N N -1.224 117.581 118.700 0.175 0.000 2.493 83 N HA 0.221 4.962 4.740 0.000 0.000 0.279 83 N C -2.602 172.991 175.510 0.138 0.000 1.082 83 N CA -1.855 51.282 53.050 0.146 0.000 0.963 83 N CB 1.683 40.262 38.487 0.153 0.000 1.627 83 N HN -0.340 nan 8.380 nan 0.000 0.499 84 P HA -0.013 nan 4.420 nan 0.000 0.219 84 P C 0.729 178.208 177.300 0.297 0.000 1.146 84 P CA 1.057 64.337 63.100 0.300 0.000 0.808 84 P CB 0.251 32.077 31.700 0.211 0.000 0.779 85 L N -2.057 119.254 121.223 0.147 0.000 2.599 85 L HA 0.168 4.509 4.340 0.000 0.000 0.230 85 L C 0.985 177.825 176.870 -0.051 0.000 1.141 85 L CA -0.487 54.394 54.840 0.068 0.000 0.877 85 L CB -0.754 41.340 42.059 0.058 0.000 1.009 85 L HN -0.120 nan 8.230 nan 0.000 0.447 86 A N 1.460 124.241 122.820 -0.065 0.000 2.451 86 A HA 0.371 4.691 4.320 0.000 0.000 0.266 86 A C 0.188 177.645 177.584 -0.212 0.000 1.119 86 A CA 0.258 52.163 52.037 -0.220 0.000 0.786 86 A CB 0.256 19.102 19.000 -0.258 0.000 1.061 86 A HN 0.327 nan 8.150 nan 0.000 0.503 87 E N 3.205 123.252 120.200 -0.255 0.000 2.380 87 E HA 0.279 4.630 4.350 0.000 0.000 0.281 87 E C -2.557 173.920 176.600 -0.204 0.000 0.999 87 E CA -1.511 54.761 56.400 -0.213 0.000 0.800 87 E CB 1.791 31.357 29.700 -0.223 0.000 1.228 87 E HN 0.275 nan 8.360 nan 0.000 0.436 88 P HA -0.163 nan 4.420 nan 0.000 0.213 88 P C 1.159 178.390 177.300 -0.115 0.000 1.176 88 P CA 2.426 65.458 63.100 -0.113 0.000 0.919 88 P CB 0.013 31.672 31.700 -0.068 0.000 0.791 89 G N -0.461 108.268 108.800 -0.118 0.000 2.476 89 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 89 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 89 G C 1.514 176.329 174.900 -0.141 0.000 1.164 89 G CA 0.935 45.967 45.100 -0.113 0.000 0.768 89 G HN 0.204 nan 8.290 nan 0.000 0.560 90 L N -0.547 120.552 121.223 -0.206 0.000 2.007 90 L HA 0.036 4.377 4.340 0.000 0.000 0.205 90 L C 2.588 179.371 176.870 -0.145 0.000 1.073 90 L CA 0.330 55.054 54.840 -0.193 0.000 0.744 90 L CB -0.578 41.333 42.059 -0.247 0.000 0.898 90 L HN 0.098 nan 8.230 nan 0.000 0.435 91 L N 0.566 121.689 121.223 -0.166 0.000 2.642 91 L HA -0.013 4.327 4.340 0.000 0.000 0.236 91 L C 1.570 178.373 176.870 -0.112 0.000 1.169 91 L CA 1.368 56.116 54.840 -0.152 0.000 0.851 91 L CB -1.356 40.566 42.059 -0.229 0.000 0.968 91 L HN 0.500 nan 8.230 nan 0.000 0.453 92 G N -1.719 107.024 108.800 -0.096 0.000 2.143 92 G HA2 -0.278 3.683 3.960 0.000 0.000 0.248 92 G HA3 -0.278 3.683 3.960 0.000 0.000 0.248 92 G C 1.010 175.877 174.900 -0.055 0.000 0.991 92 G CA 0.383 45.443 45.100 -0.066 0.000 0.689 92 G HN 0.202 nan 8.290 nan 0.000 0.522 93 V N 0.330 120.208 119.914 -0.061 0.000 2.809 93 V HA -0.130 3.990 4.120 0.000 0.000 0.256 93 V C 2.704 178.781 176.094 -0.028 0.000 1.080 93 V CA 2.566 64.843 62.300 -0.039 0.000 1.102 93 V CB -0.058 31.742 31.823 -0.037 0.000 0.705 93 V HN 0.492 nan 8.190 nan 0.000 0.475 94 S N 0.479 116.159 115.700 -0.033 0.000 2.357 94 S HA -0.158 4.313 4.470 0.000 0.000 0.221 94 S C 1.766 176.353 174.600 -0.021 0.000 1.031 94 S CA 1.598 59.784 58.200 -0.024 0.000 0.982 94 S CB -0.458 62.730 63.200 -0.020 0.000 0.853 94 S HN 0.709 nan 8.310 nan 0.000 0.458 95 N N 0.917 119.607 118.700 -0.017 0.000 2.364 95 N HA -0.060 4.680 4.740 0.000 0.000 0.183 95 N C 1.906 177.408 175.510 -0.014 0.000 1.022 95 N CA 0.604 53.650 53.050 -0.007 0.000 0.883 95 N CB -0.204 38.284 38.487 0.002 0.000 0.965 95 N HN 0.438 nan 8.380 nan 0.000 0.438 96 G N 1.277 110.064 108.800 -0.021 0.000 2.433 96 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 96 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 96 G C 1.610 176.495 174.900 -0.026 0.000 1.186 96 G CA 0.886 45.973 45.100 -0.022 0.000 0.779 96 G HN 0.355 nan 8.290 nan 0.000 0.543 97 A N 0.796 123.599 122.820 -0.029 0.000 1.969 97 A HA 0.198 4.518 4.320 0.000 0.000 0.218 97 A C 2.643 180.188 177.584 -0.065 0.000 1.169 97 A CA 1.968 53.980 52.037 -0.042 0.000 0.635 97 A CB -0.999 17.980 19.000 -0.037 0.000 0.810 97 A HN 0.539 nan 8.150 nan 0.000 0.445 98 G N 0.027 108.794 108.800 -0.055 0.000 2.545 98 G HA2 -0.212 3.749 3.960 0.000 0.000 0.217 98 G HA3 -0.212 3.749 3.960 0.000 0.000 0.217 98 G C 1.544 176.411 174.900 -0.055 0.000 1.218 98 G CA 1.595 46.658 45.100 -0.063 0.000 0.787 98 G HN 0.313 nan 8.290 nan 0.000 0.571 99 V N 1.814 121.714 119.914 -0.023 0.000 2.222 99 V HA -0.229 3.891 4.120 0.000 0.000 0.252 99 V C 3.198 179.270 176.094 -0.036 0.000 1.060 99 V CA 2.510 64.802 62.300 -0.013 0.000 1.027 99 V CB -1.363 30.456 31.823 -0.008 0.000 0.644 99 V HN 0.504 nan 8.190 nan 0.000 0.448 100 G N -0.808 107.964 108.800 -0.046 0.000 2.475 100 G HA2 -0.281 3.679 3.960 0.000 0.000 0.220 100 G HA3 -0.281 3.679 3.960 0.000 0.000 0.220 100 G C 1.546 176.396 174.900 -0.084 0.000 1.125 100 G CA 1.315 46.380 45.100 -0.058 0.000 0.755 100 G HN 0.427 nan 8.290 nan 0.000 0.565 101 L N 0.634 121.791 121.223 -0.111 0.000 2.005 101 L HA 0.063 4.403 4.340 0.000 0.000 0.207 101 L C 2.653 179.426 176.870 -0.162 0.000 1.072 101 L CA 1.227 55.968 54.840 -0.165 0.000 0.744 101 L CB -0.380 41.537 42.059 -0.237 0.000 0.895 101 L HN 0.085 nan 8.230 nan 0.000 0.433 102 I N 0.276 120.765 120.570 -0.134 0.000 2.208 102 I HA -0.301 3.869 4.170 0.000 0.000 0.245 102 I C 2.740 178.835 176.117 -0.038 0.000 1.097 102 I CA 1.487 62.745 61.300 -0.071 0.000 1.363 102 I CB -1.972 36.034 38.000 0.010 0.000 1.051 102 I HN 0.366 nan 8.210 nan 0.000 0.413 103 A N 1.071 123.868 122.820 -0.037 0.000 1.940 103 A HA -0.273 4.047 4.320 0.000 0.000 0.221 103 A C 2.579 180.137 177.584 -0.044 0.000 1.190 103 A CA 2.807 54.825 52.037 -0.030 0.000 0.647 103 A CB -0.902 18.075 19.000 -0.038 0.000 0.821 103 A HN 0.472 nan 8.150 nan 0.000 0.457 104 A N -0.865 121.911 122.820 -0.073 0.000 1.841 104 A HA 0.040 4.360 4.320 0.000 0.000 0.214 104 A C 2.155 179.694 177.584 -0.075 0.000 1.195 104 A CA 1.664 53.647 52.037 -0.090 0.000 0.611 104 A CB -1.131 17.791 19.000 -0.130 0.000 0.835 104 A HN 0.560 nan 8.150 nan 0.000 0.443 105 V N 0.319 120.188 119.914 -0.076 0.000 2.527 105 V HA -0.275 3.845 4.120 0.000 0.000 0.255 105 V C 2.373 178.466 176.094 -0.002 0.000 1.081 105 V CA 1.946 64.222 62.300 -0.040 0.000 1.092 105 V CB -0.778 31.029 31.823 -0.028 0.000 0.673 105 V HN 0.522 nan 8.190 nan 0.000 0.470 106 L N -1.454 119.771 121.223 0.003 0.000 2.253 106 L HA 0.072 4.413 4.340 0.000 0.000 0.205 106 L C 2.150 179.024 176.870 0.007 0.000 1.078 106 L CA 0.792 55.646 54.840 0.022 0.000 0.805 106 L CB -0.239 41.846 42.059 0.044 0.000 0.963 106 L HN 0.273 nan 8.230 nan 0.000 0.459 107 L N -0.351 120.865 121.223 -0.011 0.000 2.395 107 L HA 0.061 4.402 4.340 0.000 0.000 0.218 107 L C 0.934 177.787 176.870 -0.028 0.000 1.130 107 L CA 0.644 55.473 54.840 -0.018 0.000 0.826 107 L CB -0.264 41.777 42.059 -0.029 0.000 0.941 107 L HN 0.295 nan 8.230 nan 0.000 0.451 108 G N 0.385 109.163 108.800 -0.037 0.000 4.101 108 G HA2 0.215 4.175 3.960 0.000 0.000 0.262 108 G HA3 0.215 4.175 3.960 0.000 0.000 0.262 108 G C -0.437 174.437 174.900 -0.044 0.000 1.181 108 G CA -0.553 44.520 45.100 -0.045 0.000 0.640 108 G HN 0.227 nan 8.290 nan 0.000 0.467 109 Q N 0.288 120.074 119.800 -0.023 0.000 2.263 109 Q HA 0.404 4.744 4.340 0.000 0.000 0.289 109 Q C 1.329 177.317 176.000 -0.019 0.000 1.061 109 Q CA 0.490 56.285 55.803 -0.013 0.000 0.927 109 Q CB 1.059 29.800 28.738 0.005 0.000 1.154 109 Q HN 1.170 nan 8.270 nan 0.000 0.378 110 G N 2.398 111.186 108.800 -0.021 0.000 2.322 110 G HA2 -0.348 3.612 3.960 0.000 0.000 0.264 110 G HA3 -0.348 3.612 3.960 0.000 0.000 0.264 110 G C 0.976 175.854 174.900 -0.036 0.000 0.992 110 G CA 0.652 45.739 45.100 -0.022 0.000 0.624 110 G HN 0.627 nan 8.290 nan 0.000 0.543 111 Q N -0.274 119.498 119.800 -0.047 0.000 2.163 111 Q HA 0.255 4.595 4.340 0.000 0.000 0.198 111 Q C 1.756 177.701 176.000 -0.091 0.000 0.954 111 Q CA 0.579 56.349 55.803 -0.055 0.000 0.851 111 Q CB 0.006 28.714 28.738 -0.050 0.000 0.928 111 Q HN 0.632 nan 8.270 nan 0.000 0.459 112 L N 3.108 124.255 121.223 -0.126 0.000 2.313 112 L HA 0.199 4.540 4.340 0.000 0.000 0.282 112 L C -2.027 174.697 176.870 -0.243 0.000 1.092 112 L CA -1.653 53.058 54.840 -0.214 0.000 0.831 112 L CB 0.510 42.431 42.059 -0.229 0.000 1.159 112 L HN -0.069 nan 8.230 nan 0.000 0.442 113 P HA 0.137 nan 4.420 nan 0.000 0.272 113 P C 0.309 177.404 177.300 -0.343 0.000 1.240 113 P CA -0.489 62.438 63.100 -0.288 0.000 0.791 113 P CB 0.583 32.130 31.700 -0.254 0.000 0.978 114 N N 0.993 119.616 118.700 -0.128 0.000 2.037 114 N HA -0.182 4.558 4.740 0.000 0.000 0.196 114 N C 1.808 177.278 175.510 -0.067 0.000 1.034 114 N CA 1.586 54.599 53.050 -0.061 0.000 0.861 114 N CB -0.612 37.914 38.487 0.065 0.000 1.039 114 N HN 0.684 nan 8.380 nan 0.000 0.427 115 W N 1.473 122.759 121.300 -0.023 0.000 2.350 115 W HA -0.013 4.648 4.660 0.001 0.000 0.289 115 W C 1.781 178.273 176.519 -0.045 0.000 1.215 115 W CA 1.018 58.356 57.345 -0.010 0.000 1.236 115 W CB -0.887 28.537 29.460 -0.061 0.000 1.130 115 W HN -0.026 nan 8.180 nan 0.000 0.541 116 A N 1.712 123.738 122.820 -1.325 0.000 1.969 116 A HA -0.065 4.255 4.320 0.000 0.000 0.218 116 A C 2.341 179.606 177.584 -0.532 0.000 1.169 116 A CA 1.678 52.938 52.037 -1.295 0.000 0.635 116 A CB -0.917 17.310 19.000 -1.287 0.000 0.810 116 A HN 0.375 nan 8.150 nan 0.000 0.445 117 L N -0.896 120.103 121.223 -0.373 0.000 2.044 117 L HA -0.059 4.281 4.340 0.000 0.000 0.205 117 L C 2.898 179.683 176.870 -0.141 0.000 1.075 117 L CA 1.013 55.718 54.840 -0.224 0.000 0.747 117 L CB -1.091 40.855 42.059 -0.189 0.000 0.903 117 L HN 0.456 nan 8.230 nan 0.000 0.435 118 G N 0.665 109.421 108.800 -0.073 0.000 2.547 118 G HA2 -0.287 3.673 3.960 0.000 0.000 0.221 118 G HA3 -0.287 3.673 3.960 0.000 0.000 0.221 118 G C 1.621 176.515 174.900 -0.010 0.000 1.140 118 G CA 1.038 46.141 45.100 0.005 0.000 0.760 118 G HN 0.246 nan 8.290 nan 0.000 0.583 119 L N -0.146 121.061 121.223 -0.027 0.000 2.083 119 L HA -0.115 4.225 4.340 0.000 0.000 0.209 119 L C 3.035 179.865 176.870 -0.068 0.000 1.083 119 L CA 0.875 55.689 54.840 -0.043 0.000 0.752 119 L CB -0.543 41.498 42.059 -0.029 0.000 0.899 119 L HN 0.275 nan 8.230 nan 0.000 0.433 120 C N -0.375 118.868 119.300 -0.095 0.000 2.432 120 C HA -0.082 4.379 4.460 0.000 0.000 0.280 120 C C 3.061 178.006 174.990 -0.075 0.000 1.353 120 C CA 0.645 59.608 59.018 -0.093 0.000 1.766 120 C CB -1.031 26.638 27.740 -0.118 0.000 1.924 120 C HN 0.602 nan 8.230 nan 0.000 0.509 121 A N 0.683 123.462 122.820 -0.070 0.000 1.855 121 A HA 0.002 4.322 4.320 0.000 0.000 0.213 121 A C 1.977 179.546 177.584 -0.024 0.000 1.195 121 A CA 1.121 53.125 52.037 -0.055 0.000 0.610 121 A CB -0.592 18.374 19.000 -0.057 0.000 0.837 121 A HN 0.521 nan 8.150 nan 0.000 0.444 122 I N 0.145 120.711 120.570 -0.008 0.000 2.381 122 I HA -0.354 3.816 4.170 0.000 0.000 0.255 122 I C 2.798 178.909 176.117 -0.010 0.000 1.140 122 I CA 1.087 62.394 61.300 0.011 0.000 1.404 122 I CB -0.314 37.674 38.000 -0.020 0.000 1.075 122 I HN 0.403 nan 8.210 nan 0.000 0.433 123 A N 0.860 123.662 122.820 -0.031 0.000 1.874 123 A HA -0.011 4.309 4.320 0.000 0.000 0.214 123 A C 2.490 180.059 177.584 -0.024 0.000 1.189 123 A CA 1.429 53.447 52.037 -0.033 0.000 0.615 123 A CB -1.303 17.670 19.000 -0.044 0.000 0.830 123 A HN 0.413 nan 8.150 nan 0.000 0.443 124 G N -0.182 108.600 108.800 -0.029 0.000 2.469 124 G HA2 -0.071 3.889 3.960 0.000 0.000 0.219 124 G HA3 -0.071 3.889 3.960 0.000 0.000 0.219 124 G C 1.705 176.597 174.900 -0.015 0.000 1.150 124 G CA 1.754 46.839 45.100 -0.026 0.000 0.763 124 G HN 0.774 nan 8.290 nan 0.000 0.561 125 A N 0.655 123.472 122.820 -0.004 0.000 1.832 125 A HA 0.131 4.451 4.320 0.000 0.000 0.214 125 A C 2.441 180.036 177.584 0.017 0.000 1.200 125 A CA 1.296 53.339 52.037 0.010 0.000 0.610 125 A CB -0.643 18.375 19.000 0.030 0.000 0.842 125 A HN 0.318 nan 8.150 nan 0.000 0.444 126 L N -0.103 121.132 121.223 0.020 0.000 2.030 126 L HA -0.307 4.033 4.340 0.000 0.000 0.222 126 L C 2.532 179.408 176.870 0.011 0.000 1.082 126 L CA 1.490 56.341 54.840 0.018 0.000 0.785 126 L CB -0.802 41.258 42.059 0.002 0.000 0.895 126 L HN 0.386 nan 8.230 nan 0.000 0.439 127 I N -0.253 120.316 120.570 -0.001 0.000 2.053 127 I HA -0.347 3.823 4.170 0.000 0.000 0.236 127 I C 2.600 178.719 176.117 0.004 0.000 1.038 127 I CA 1.690 62.988 61.300 -0.004 0.000 1.304 127 I CB -1.267 36.726 38.000 -0.012 0.000 1.023 127 I HN 0.176 nan 8.210 nan 0.000 0.395 128 I N 1.038 121.606 120.570 -0.003 0.000 2.113 128 I HA -0.314 3.856 4.170 0.000 0.000 0.242 128 I C 2.640 178.773 176.117 0.028 0.000 1.064 128 I CA 1.973 63.268 61.300 -0.008 0.000 1.320 128 I CB -1.980 36.008 38.000 -0.020 0.000 1.028 128 I HN 0.285 nan 8.210 nan 0.000 0.406 129 T N 1.530 116.115 114.554 0.052 0.000 2.778 129 T HA -0.168 4.183 4.350 0.000 0.000 0.269 129 T C 2.112 176.887 174.700 0.125 0.000 1.050 129 T CA 1.148 63.320 62.100 0.121 0.000 1.137 129 T CB -0.280 68.654 68.868 0.110 0.000 0.860 129 T HN 0.249 nan 8.240 nan 0.000 0.468 130 L N -0.058 121.200 121.223 0.059 0.000 2.049 130 L HA 0.067 4.407 4.340 0.000 0.000 0.203 130 L C 2.462 179.363 176.870 0.051 0.000 1.074 130 L CA 1.074 55.931 54.840 0.029 0.000 0.749 130 L CB -0.415 41.646 42.059 0.003 0.000 0.907 130 L HN 0.236 nan 8.230 nan 0.000 0.439 131 I N -0.109 120.493 120.570 0.053 0.000 2.194 131 I HA -0.364 3.807 4.170 0.000 0.000 0.246 131 I C 2.468 178.643 176.117 0.097 0.000 1.093 131 I CA 1.460 62.809 61.300 0.083 0.000 1.355 131 I CB -0.295 37.700 38.000 -0.008 0.000 1.046 131 I HN 0.263 nan 8.210 nan 0.000 0.413 132 L N -0.252 121.008 121.223 0.062 0.000 1.994 132 L HA -0.235 4.105 4.340 0.000 0.000 0.208 132 L C 2.595 179.582 176.870 0.195 0.000 1.071 132 L CA 1.077 56.008 54.840 0.151 0.000 0.745 132 L CB -0.526 41.718 42.059 0.308 0.000 0.892 132 L HN 0.261 nan 8.230 nan 0.000 0.431 133 L N 0.130 121.390 121.223 0.061 0.000 2.079 133 L HA -0.218 4.123 4.340 0.000 0.000 0.210 133 L C 2.686 179.509 176.870 -0.078 0.000 1.081 133 L CA 1.624 56.337 54.840 -0.212 0.000 0.752 133 L CB -0.541 41.387 42.059 -0.218 0.000 0.896 133 L HN 0.098 nan 8.230 nan 0.000 0.433 134 R N -1.156 119.374 120.500 0.049 0.000 2.083 134 R HA -0.193 4.148 4.340 0.000 0.000 0.237 134 R C 2.068 178.438 176.300 0.118 0.000 1.137 134 R CA 1.940 58.076 56.100 0.061 0.000 0.951 134 R CB -0.695 29.676 30.300 0.117 0.000 0.851 134 R HN 0.331 nan 8.270 nan 0.000 0.434 135 F N 0.117 120.061 119.950 -0.011 0.000 2.333 135 F HA 0.033 4.560 4.527 0.000 0.000 0.300 135 F C 2.217 178.040 175.800 0.038 0.000 1.083 135 F CA 0.964 58.981 58.000 0.029 0.000 1.395 135 F CB -0.609 38.424 39.000 0.055 0.000 1.056 135 F HN 0.187 nan 8.300 nan 0.000 0.529 136 A N 0.011 122.922 122.820 0.152 0.000 1.930 136 A HA -0.091 4.229 4.320 0.000 0.000 0.215 136 A C 2.355 179.947 177.584 0.014 0.000 1.176 136 A CA 0.955 53.010 52.037 0.030 0.000 0.632 136 A CB -0.353 18.494 19.000 -0.255 0.000 0.819 136 A HN 0.275 nan 8.150 nan 0.000 0.445 137 R N -0.537 119.961 120.500 -0.003 0.000 2.062 137 R HA 0.018 4.359 4.340 0.000 0.000 0.226 137 R C 2.308 178.637 176.300 0.047 0.000 1.125 137 R CA 1.212 57.330 56.100 0.030 0.000 0.966 137 R CB -0.296 30.009 30.300 0.008 0.000 0.861 137 R HN 0.417 nan 8.270 nan 0.000 0.433 138 R N -0.492 120.026 120.500 0.029 0.000 2.148 138 R HA -0.078 4.263 4.340 0.000 0.000 0.227 138 R C 0.309 176.683 176.300 0.122 0.000 1.103 138 R CA 1.032 57.154 56.100 0.035 0.000 0.983 138 R CB -0.088 30.184 30.300 -0.047 0.000 0.874 138 R HN 0.238 nan 8.270 nan 0.000 0.451 139 H N -0.379 118.693 119.070 0.003 0.000 2.696 139 H HA 0.174 4.731 4.556 0.000 0.000 0.221 139 H C -1.481 173.879 175.328 0.053 0.000 1.399 139 H CA -0.633 55.429 56.048 0.024 0.000 1.408 139 H CB 0.102 29.876 29.762 0.019 0.000 1.853 139 H HN -0.112 nan 8.280 nan 0.000 0.546 140 L N 2.475 123.685 121.223 -0.022 0.000 2.700 140 L HA 0.230 4.570 4.340 0.000 0.000 0.272 140 L C -0.196 176.668 176.870 -0.010 0.000 1.176 140 L CA 1.009 55.853 54.840 0.006 0.000 0.961 140 L CB -0.359 41.698 42.059 -0.003 0.000 1.249 140 L HN 0.520 nan 8.230 nan 0.000 0.487 141 S N 1.574 117.318 115.700 0.073 0.000 2.543 141 S HA 0.344 4.814 4.470 0.000 0.000 0.273 141 S C 0.829 175.500 174.600 0.118 0.000 1.152 141 S CA -0.066 58.183 58.200 0.083 0.000 0.910 141 S CB 1.247 64.518 63.200 0.119 0.000 1.105 141 S HN 0.784 nan 8.310 nan 0.000 0.465 142 T N 1.512 116.124 114.554 0.097 0.000 2.904 142 T HA -0.011 4.339 4.350 0.000 0.000 0.267 142 T C 1.682 176.439 174.700 0.095 0.000 1.059 142 T CA 1.733 63.893 62.100 0.101 0.000 1.137 142 T CB -0.450 68.465 68.868 0.078 0.000 0.879 142 T HN 0.396 nan 8.240 nan 0.000 0.467 143 S N 1.295 117.050 115.700 0.092 0.000 2.345 143 S HA 0.060 4.530 4.470 0.000 0.000 0.219 143 S C 2.072 176.734 174.600 0.102 0.000 1.031 143 S CA 0.987 59.239 58.200 0.085 0.000 0.984 143 S CB -0.381 62.867 63.200 0.080 0.000 0.874 143 S HN 0.550 nan 8.310 nan 0.000 0.451 144 R N 1.354 121.937 120.500 0.138 0.000 2.132 144 R HA -0.114 4.227 4.340 0.000 0.000 0.233 144 R C 2.191 178.585 176.300 0.156 0.000 1.125 144 R CA 1.665 57.867 56.100 0.169 0.000 0.914 144 R CB -0.843 29.604 30.300 0.244 0.000 0.845 144 R HN 0.326 nan 8.270 nan 0.000 0.431 145 L N 0.061 121.393 121.223 0.182 0.000 2.021 145 L HA -0.234 4.107 4.340 0.000 0.000 0.215 145 L C 2.425 179.349 176.870 0.090 0.000 1.074 145 L CA 1.096 56.050 54.840 0.191 0.000 0.760 145 L CB -0.584 41.654 42.059 0.297 0.000 0.889 145 L HN 0.324 nan 8.230 nan 0.000 0.433 146 L N -0.706 120.558 121.223 0.067 0.000 2.362 146 L HA -0.143 4.197 4.340 0.000 0.000 0.219 146 L C 2.008 178.885 176.870 0.010 0.000 1.134 146 L CA 1.491 56.341 54.840 0.017 0.000 0.807 146 L CB -0.310 41.764 42.059 0.025 0.000 0.927 146 L HN 0.135 nan 8.230 nan 0.000 0.447 147 L N -1.603 119.640 121.223 0.033 0.000 2.056 147 L HA 0.008 4.348 4.340 0.000 0.000 0.202 147 L C 2.633 179.501 176.870 -0.005 0.000 1.086 147 L CA 0.904 55.758 54.840 0.024 0.000 0.758 147 L CB -1.103 40.985 42.059 0.049 0.000 0.912 147 L HN 0.204 nan 8.230 nan 0.000 0.446 148 A N 0.774 123.590 122.820 -0.007 0.000 1.909 148 A HA -0.280 4.040 4.320 0.000 0.000 0.221 148 A C 2.321 179.834 177.584 -0.119 0.000 1.223 148 A CA 2.444 54.420 52.037 -0.101 0.000 0.658 148 A CB -1.687 17.198 19.000 -0.190 0.000 0.831 148 A HN 0.524 nan 8.150 nan 0.000 0.462 149 G N -0.782 107.967 108.800 -0.085 0.000 2.514 149 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 149 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 149 G C 1.552 176.405 174.900 -0.078 0.000 1.198 149 G CA 1.704 46.749 45.100 -0.092 0.000 0.780 149 G HN 0.446 nan 8.290 nan 0.000 0.565 150 V N 1.769 121.648 119.914 -0.059 0.000 2.282 150 V HA -0.210 3.911 4.120 0.000 0.000 0.249 150 V C 3.352 179.425 176.094 -0.035 0.000 1.057 150 V CA 2.315 64.590 62.300 -0.042 0.000 1.032 150 V CB -1.179 30.629 31.823 -0.024 0.000 0.645 150 V HN 0.552 nan 8.190 nan 0.000 0.447 151 A N 0.095 122.892 122.820 -0.038 0.000 1.849 151 A HA -0.221 4.099 4.320 0.000 0.000 0.217 151 A C 2.206 179.763 177.584 -0.045 0.000 1.202 151 A CA 2.284 54.300 52.037 -0.034 0.000 0.629 151 A CB -0.796 18.180 19.000 -0.040 0.000 0.834 151 A HN 0.498 nan 8.150 nan 0.000 0.447 152 L N -0.556 120.620 121.223 -0.078 0.000 2.051 152 L HA -0.233 4.107 4.340 0.000 0.000 0.214 152 L C 2.826 179.669 176.870 -0.045 0.000 1.076 152 L CA 1.288 56.081 54.840 -0.078 0.000 0.758 152 L CB -1.207 40.783 42.059 -0.115 0.000 0.890 152 L HN 0.549 nan 8.230 nan 0.000 0.433 153 G N 0.613 109.388 108.800 -0.042 0.000 2.491 153 G HA2 -0.263 3.698 3.960 0.000 0.000 0.218 153 G HA3 -0.263 3.698 3.960 0.000 0.000 0.218 153 G C 1.492 176.393 174.900 0.002 0.000 1.180 153 G CA 0.810 45.897 45.100 -0.023 0.000 0.774 153 G HN 0.162 nan 8.290 nan 0.000 0.562 154 I N 1.196 121.770 120.570 0.007 0.000 2.127 154 I HA -0.146 4.024 4.170 0.000 0.000 0.241 154 I C 2.905 179.050 176.117 0.046 0.000 1.075 154 I CA 0.949 62.268 61.300 0.032 0.000 1.334 154 I CB -1.166 36.852 38.000 0.030 0.000 1.040 154 I HN 0.198 nan 8.210 nan 0.000 0.405 155 I N 0.545 121.127 120.570 0.020 0.000 2.113 155 I HA -0.407 3.764 4.170 0.000 0.000 0.242 155 I C 2.824 178.960 176.117 0.032 0.000 1.064 155 I CA 1.638 62.946 61.300 0.013 0.000 1.320 155 I CB -0.511 37.478 38.000 -0.019 0.000 1.028 155 I HN 0.284 nan 8.210 nan 0.000 0.406 156 C N -0.060 119.252 119.300 0.021 0.000 2.425 156 C HA -0.138 4.323 4.460 0.000 0.000 0.277 156 C C 3.187 178.217 174.990 0.067 0.000 1.280 156 C CA 1.182 60.218 59.018 0.031 0.000 1.744 156 C CB -1.009 26.737 27.740 0.010 0.000 1.989 156 C HN 0.505 nan 8.230 nan 0.000 0.491 157 S N 0.689 116.434 115.700 0.075 0.000 2.383 157 S HA -0.083 4.387 4.470 0.000 0.000 0.227 157 S C 2.159 176.857 174.600 0.163 0.000 1.026 157 S CA 1.263 59.522 58.200 0.098 0.000 0.981 157 S CB -0.367 62.880 63.200 0.079 0.000 0.818 157 S HN 0.719 nan 8.310 nan 0.000 0.472 158 A N 1.831 124.782 122.820 0.218 0.000 1.845 158 A HA 0.086 4.406 4.320 0.000 0.000 0.215 158 A C 1.160 179.012 177.584 0.446 0.000 1.195 158 A CA 0.772 53.079 52.037 0.450 0.000 0.616 158 A CB -0.874 18.337 19.000 0.353 0.000 0.832 158 A HN 0.406 nan 8.150 nan 0.000 0.443 162 W N 2.280 123.647 121.300 0.111 0.000 2.374 162 W HA 0.355 5.015 4.660 0.000 0.000 0.288 162 W C 2.727 179.344 176.519 0.164 0.000 1.218 162 W CA 1.507 58.942 57.345 0.150 0.000 1.245 162 W CB -0.459 29.045 29.460 0.074 0.000 1.126 162 W HN 0.628 nan 8.180 nan 0.000 0.545 163 A N -0.475 122.537 122.820 0.321 0.000 2.067 163 A HA -0.078 4.242 4.320 0.000 0.000 0.217 163 A C 1.737 179.456 177.584 0.224 0.000 1.156 163 A CA 0.928 53.102 52.037 0.229 0.000 0.683 163 A CB -0.492 18.601 19.000 0.155 0.000 0.808 163 A HN 0.048 nan 8.150 nan 0.000 0.455 164 I N -1.403 119.293 120.570 0.209 0.000 2.277 164 I HA -0.129 4.041 4.170 0.000 0.000 0.243 164 I C 2.372 178.588 176.117 0.165 0.000 1.094 164 I CA 1.196 62.598 61.300 0.170 0.000 1.393 164 I CB -1.716 36.373 38.000 0.149 0.000 1.078 164 I HN 0.566 nan 8.210 nan 0.000 0.417 165 Y N 1.696 122.044 120.300 0.079 0.000 2.165 165 Y HA -0.301 4.249 4.550 0.000 0.000 0.286 165 Y C 2.583 178.555 175.900 0.120 0.000 1.155 165 Y CA 1.279 59.411 58.100 0.052 0.000 1.164 165 Y CB -0.974 37.478 38.460 -0.013 0.000 0.978 165 Y HN 0.035 nan 8.280 nan 0.000 0.513 166 F N 0.393 120.136 119.950 -0.345 0.000 2.095 166 F HA -0.218 4.309 4.527 0.000 0.000 0.298 166 F C 2.900 178.549 175.800 -0.252 0.000 1.104 166 F CA 2.219 59.980 58.000 -0.398 0.000 1.232 166 F CB -1.059 37.877 39.000 -0.107 0.000 0.987 166 F HN 0.185 nan 8.300 nan 0.000 0.475 167 S N -1.328 114.355 115.700 -0.028 0.000 2.453 167 S HA -0.095 4.375 4.470 0.000 0.000 0.231 167 S C 1.110 175.644 174.600 -0.110 0.000 1.005 167 S CA 1.402 59.559 58.200 -0.072 0.000 0.949 167 S CB -0.589 62.635 63.200 0.041 0.000 0.774 167 S HN 0.611 nan 8.310 nan 0.000 0.510 168 T N 0.431 114.926 114.554 -0.098 0.000 8.089 168 T HA -0.167 4.183 4.350 0.000 0.000 0.315 168 T C 0.532 175.214 174.700 -0.030 0.000 2.025 168 T CA 1.192 63.251 62.100 -0.069 0.000 3.021 168 T CB -2.218 66.584 68.868 -0.109 0.000 2.356 168 T HN 0.421 nan 8.240 nan 0.000 1.220 169 S N 0.707 116.401 115.700 -0.010 0.000 2.699 169 S HA 0.426 4.896 4.470 0.000 0.000 0.251 169 S C 0.512 175.118 174.600 0.010 0.000 1.179 169 S CA -0.250 57.950 58.200 0.000 0.000 1.200 169 S CB 0.385 63.594 63.200 0.015 0.000 0.848 169 S HN 0.584 nan 8.310 nan 0.000 0.472 170 V N 1.669 121.585 119.914 0.004 0.000 2.743 170 V HA 0.434 4.555 4.120 0.000 0.000 0.301 170 V C -1.017 175.053 176.094 -0.040 0.000 1.057 170 V CA -0.420 61.876 62.300 -0.008 0.000 1.006 170 V CB 1.548 33.383 31.823 0.020 0.000 1.024 170 V HN 0.279 nan 8.190 nan 0.000 0.473 171 D N 5.524 125.873 120.400 -0.084 0.000 2.402 171 D HA 0.253 4.893 4.640 0.000 0.000 0.252 171 D C 1.009 177.244 176.300 -0.108 0.000 1.294 171 D CA -0.299 53.646 54.000 -0.092 0.000 0.948 171 D CB 1.879 42.607 40.800 -0.119 0.000 1.202 171 D HN 0.464 nan 8.370 nan 0.000 0.561 172 L N 0.995 122.174 121.223 -0.073 0.000 2.171 172 L HA -0.310 4.031 4.340 0.000 0.000 0.216 172 L C 2.399 179.213 176.870 -0.094 0.000 1.084 172 L CA 1.633 56.426 54.840 -0.078 0.000 0.771 172 L CB -0.287 41.736 42.059 -0.060 0.000 0.890 172 L HN 0.210 nan 8.230 nan 0.000 0.437 173 R N -0.572 119.897 120.500 -0.052 0.000 2.051 173 R HA -0.113 4.227 4.340 0.000 0.000 0.225 173 R C 2.272 178.617 176.300 0.075 0.000 1.155 173 R CA 1.120 57.263 56.100 0.071 0.000 0.945 173 R CB -0.465 29.969 30.300 0.223 0.000 0.840 173 R HN 0.374 nan 8.270 nan 0.000 0.432 174 Q N 0.739 120.426 119.800 -0.188 0.000 2.096 174 Q HA -0.186 4.154 4.340 0.000 0.000 0.208 174 Q C 0.987 176.415 176.000 -0.953 0.000 0.993 174 Q CA 1.101 56.487 55.803 -0.695 0.000 0.862 174 Q CB -0.361 27.857 28.738 -0.867 0.000 0.915 174 Q HN 0.089 nan 8.270 nan 0.000 0.416 182 G N -0.962 107.907 108.800 0.114 0.000 2.633 182 G HA2 0.526 4.486 3.960 0.000 0.000 0.299 182 G HA3 0.526 4.486 3.960 0.000 0.000 0.299 182 G C -0.848 174.062 174.900 0.018 0.000 1.501 182 G CA -0.518 44.687 45.100 0.176 0.000 0.887 182 G HN 0.599 nan 8.290 nan 0.000 0.561 183 F N 1.922 121.907 119.950 0.058 0.000 2.639 183 F HA 0.265 4.792 4.527 0.000 0.000 0.300 183 F C 2.220 178.011 175.800 -0.014 0.000 1.109 183 F CA 0.376 58.385 58.000 0.015 0.000 1.335 183 F CB 0.973 39.969 39.000 -0.006 0.000 1.014 183 F HN 0.648 nan 8.300 nan 0.000 0.537 184 G N 0.434 109.297 108.800 0.105 0.000 2.529 184 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 184 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 184 G C 1.692 176.579 174.900 -0.022 0.000 1.177 184 G CA 0.860 45.966 45.100 0.009 0.000 0.773 184 G HN 0.464 nan 8.290 nan 0.000 0.573 185 G N -0.307 108.477 108.800 -0.027 0.000 4.084 185 G HA2 0.428 4.388 3.960 0.000 0.000 0.293 185 G HA3 0.428 4.388 3.960 0.000 0.000 0.293 185 G C -0.632 174.254 174.900 -0.022 0.000 1.303 185 G CA -0.302 44.781 45.100 -0.030 0.000 1.289 185 G HN 0.241 nan 8.290 nan 0.000 0.609 186 V N 1.355 121.254 119.914 -0.024 0.000 2.348 186 V HA 0.304 4.424 4.120 0.000 0.000 0.270 186 V C -0.488 175.536 176.094 -0.117 0.000 1.037 186 V CA -0.566 61.709 62.300 -0.042 0.000 0.872 186 V CB 1.320 33.154 31.823 0.018 0.000 1.002 186 V HN 0.378 nan 8.190 nan 0.000 0.464 187 D N 2.895 123.237 120.400 -0.097 0.000 2.450 187 D HA 0.251 4.891 4.640 0.000 0.000 0.238 187 D C 0.342 176.597 176.300 -0.075 0.000 1.020 187 D CA -0.630 53.295 54.000 -0.125 0.000 1.010 187 D CB 1.897 42.691 40.800 -0.012 0.000 1.342 187 D HN 0.453 nan 8.370 nan 0.000 0.530 188 W N 0.818 122.114 121.300 -0.006 0.000 2.480 188 W HA -0.090 4.571 4.660 0.001 0.000 0.257 188 W C 2.021 178.582 176.519 0.069 0.000 1.235 188 W CA 0.119 57.463 57.345 -0.001 0.000 1.218 188 W CB 0.133 29.584 29.460 -0.014 0.000 1.131 188 W HN 0.273 nan 8.180 nan 0.000 0.606 189 R N 0.755 121.420 120.500 0.275 0.000 2.325 189 R HA 0.022 4.362 4.340 0.000 0.000 0.214 189 R C 0.712 177.150 176.300 0.230 0.000 0.961 189 R CA 0.647 56.892 56.100 0.240 0.000 1.086 189 R CB -0.459 29.941 30.300 0.166 0.000 1.037 189 R HN 0.339 nan 8.270 nan 0.000 0.493 190 Q N 0.357 120.288 119.800 0.218 0.000 2.127 190 Q HA 0.096 4.436 4.340 0.000 0.000 0.222 190 Q C 1.026 177.169 176.000 0.239 0.000 0.794 190 Q CA 0.317 56.240 55.803 0.199 0.000 1.010 190 Q CB 1.378 30.178 28.738 0.102 0.000 1.170 190 Q HN 0.402 nan 8.270 nan 0.000 0.479 191 S N -0.358 115.511 115.700 0.281 0.000 2.440 191 S HA -0.186 4.284 4.470 0.000 0.000 0.238 191 S C 1.172 175.872 174.600 0.167 0.000 1.010 191 S CA 0.630 58.973 58.200 0.239 0.000 0.972 191 S CB -0.419 62.959 63.200 0.296 0.000 0.774 191 S HN 0.477 nan 8.310 nan 0.000 0.501 192 W N 1.837 123.221 121.300 0.140 0.000 2.402 192 W HA 0.313 4.973 4.660 0.000 0.000 0.286 192 W C 1.244 177.849 176.519 0.144 0.000 1.221 192 W CA -0.049 57.372 57.345 0.127 0.000 1.257 192 W CB -0.408 29.132 29.460 0.134 0.000 1.120 192 W HN 0.220 nan 8.180 nan 0.000 0.551 196 A N 0.225 123.155 122.820 0.182 0.000 2.194 196 A HA -0.167 4.153 4.320 0.000 0.000 0.220 196 A C 1.906 179.707 177.584 0.362 0.000 1.162 196 A CA 1.806 54.049 52.037 0.344 0.000 0.674 196 A CB -0.317 18.924 19.000 0.401 0.000 0.789 196 A HN 0.308 nan 8.150 nan 0.000 0.470 197 L N -0.873 120.436 121.223 0.144 0.000 2.249 197 L HA 0.158 4.498 4.340 0.000 0.000 0.207 197 L C 2.168 178.961 176.870 -0.128 0.000 1.090 197 L CA 0.975 55.791 54.840 -0.040 0.000 0.802 197 L CB -0.278 41.784 42.059 0.004 0.000 0.947 197 L HN 0.411 nan 8.230 nan 0.000 0.453 198 I N -0.036 120.516 120.570 -0.030 0.000 2.127 198 I HA -0.238 3.932 4.170 0.000 0.000 0.241 198 I C -0.365 175.726 176.117 -0.043 0.000 1.075 198 I CA 1.223 62.506 61.300 -0.028 0.000 1.334 198 I CB -1.562 36.444 38.000 0.010 0.000 1.040 198 I HN 0.209 nan 8.210 nan 0.000 0.405 199 P HA -0.231 nan 4.420 nan 0.000 0.208 199 P C 2.006 179.257 177.300 -0.081 0.000 1.180 199 P CA 1.455 64.574 63.100 0.032 0.000 0.935 199 P CB -0.106 31.714 31.700 0.201 0.000 0.785 200 V N -0.438 119.174 119.914 -0.503 0.000 2.252 200 V HA -0.292 3.828 4.120 0.000 0.000 0.249 200 V C 2.269 178.261 176.094 -0.170 0.000 1.056 200 V CA 1.890 63.864 62.300 -0.543 0.000 1.022 200 V CB -1.348 29.598 31.823 -1.462 0.000 0.641 200 V HN 0.005 nan 8.190 nan 0.000 0.445 201 L N -0.853 120.225 121.223 -0.242 0.000 2.034 201 L HA -0.289 4.051 4.340 0.000 0.000 0.217 201 L C 2.489 179.346 176.870 -0.021 0.000 1.077 201 L CA 2.472 57.248 54.840 -0.107 0.000 0.769 201 L CB -0.377 41.625 42.059 -0.096 0.000 0.890 201 L HN 0.402 nan 8.230 nan 0.000 0.435 202 L N -2.473 118.757 121.223 0.012 0.000 2.072 202 L HA -0.234 4.106 4.340 0.000 0.000 0.205 202 L C 2.281 179.209 176.870 0.096 0.000 1.079 202 L CA 1.257 56.127 54.840 0.049 0.000 0.752 202 L CB -0.601 41.496 42.059 0.064 0.000 0.906 202 L HN 0.445 nan 8.230 nan 0.000 0.436 203 W N 1.079 122.364 121.300 -0.024 0.000 2.348 203 W HA -0.246 4.414 4.660 0.000 0.000 0.324 203 W C 2.374 178.911 176.519 0.031 0.000 1.209 203 W CA 1.588 58.947 57.345 0.023 0.000 1.275 203 W CB -0.470 29.015 29.460 0.042 0.000 1.175 203 W HN -0.050 nan 8.180 nan 0.000 0.461 204 I N 0.205 120.845 120.570 0.117 0.000 2.315 204 I HA -0.381 3.789 4.170 0.000 0.000 0.251 204 I C 2.134 178.117 176.117 -0.223 0.000 1.125 204 I CA 1.611 62.812 61.300 -0.166 0.000 1.392 204 I CB -0.454 37.621 38.000 0.126 0.000 1.065 204 I HN 0.154 nan 8.210 nan 0.000 0.424 205 C N 0.001 119.229 119.300 -0.121 0.000 2.485 205 C HA -0.070 4.390 4.460 0.000 0.000 0.283 205 C C 2.465 177.376 174.990 -0.133 0.000 1.478 205 C CA 0.550 59.510 59.018 -0.098 0.000 1.741 205 C CB -1.793 25.920 27.740 -0.045 0.000 1.675 205 C HN 0.708 nan 8.230 nan 0.000 0.573 206 C N -0.756 118.409 119.300 -0.226 0.000 3.228 206 C HA 0.147 4.607 4.460 0.000 0.000 0.290 206 C C 1.313 176.133 174.990 -0.284 0.000 1.301 206 C CA -0.064 58.827 59.018 -0.211 0.000 1.703 206 C CB -0.716 26.922 27.740 -0.171 0.000 2.141 206 C HN 0.518 nan 8.230 nan 0.000 0.656 207 Q N 1.573 121.113 119.800 -0.434 0.000 2.938 207 Q HA 0.074 4.414 4.340 0.000 0.000 0.343 207 Q C 1.609 177.386 176.000 -0.372 0.000 1.185 207 Q CA 0.188 55.712 55.803 -0.464 0.000 0.939 207 Q CB -0.043 28.302 28.738 -0.655 0.000 1.480 207 Q HN 0.818 nan 8.270 nan 0.000 0.442 208 S N -0.006 115.550 115.700 -0.240 0.000 2.348 208 S HA -0.193 4.278 4.470 0.000 0.000 0.221 208 S C 1.733 176.225 174.600 -0.180 0.000 1.033 208 S CA 0.534 58.643 58.200 -0.151 0.000 1.010 208 S CB -0.037 63.128 63.200 -0.058 0.000 0.891 208 S HN 0.426 nan 8.310 nan 0.000 0.442 209 R N 2.185 122.570 120.500 -0.192 0.000 2.143 209 R HA -0.057 4.283 4.340 0.000 0.000 0.239 209 R C -1.258 174.866 176.300 -0.293 0.000 1.126 209 R CA 1.421 57.406 56.100 -0.192 0.000 0.927 209 R CB -2.515 27.684 30.300 -0.169 0.000 0.860 209 R HN 0.410 nan 8.270 nan 0.000 0.433 215 A N 0.122 122.972 122.820 0.050 0.000 2.019 215 A HA -0.047 4.274 4.320 0.000 0.000 0.219 215 A C 1.948 179.566 177.584 0.058 0.000 1.164 215 A CA 1.884 53.973 52.037 0.087 0.000 0.644 215 A CB -0.606 18.485 19.000 0.153 0.000 0.805 215 A HN 0.415 nan 8.150 nan 0.000 0.449 216 L N -1.261 119.985 121.223 0.037 0.000 2.083 216 L HA 0.121 4.461 4.340 0.000 0.000 0.209 216 L C 1.283 178.169 176.870 0.026 0.000 1.083 216 L CA 0.876 55.730 54.840 0.024 0.000 0.752 216 L CB -0.690 41.377 42.059 0.013 0.000 0.899 216 L HN 0.603 nan 8.230 nan 0.000 0.433 217 G N -0.969 107.849 108.800 0.031 0.000 2.535 217 G HA2 -0.095 3.865 3.960 0.000 0.000 0.662 217 G HA3 -0.095 3.865 3.960 0.000 0.000 0.662 217 G C 0.028 174.942 174.900 0.024 0.000 1.417 217 G CA -0.107 45.013 45.100 0.032 0.000 0.866 217 G HN 0.109 nan 8.290 nan 0.000 0.647 218 E N 0.447 120.666 120.200 0.031 0.000 2.237 218 E HA -0.327 4.023 4.350 0.000 0.000 0.249 218 E C 2.376 178.971 176.600 -0.009 0.000 1.035 218 E CA 2.565 58.975 56.400 0.018 0.000 0.992 218 E CB -0.242 29.471 29.700 0.023 0.000 0.899 218 E HN 0.610 nan 8.360 nan 0.000 0.525 219 I N 0.244 120.806 120.570 -0.014 0.000 2.091 219 I HA -0.357 3.813 4.170 0.000 0.000 0.240 219 I C 2.861 178.967 176.117 -0.019 0.000 1.046 219 I CA 1.621 62.907 61.300 -0.024 0.000 1.306 219 I CB -0.583 37.406 38.000 -0.018 0.000 1.018 219 I HN 0.211 nan 8.210 nan 0.000 0.404 220 S N 0.052 115.747 115.700 -0.008 0.000 2.365 220 S HA -0.239 4.231 4.470 0.000 0.000 0.225 220 S C 2.184 176.780 174.600 -0.005 0.000 1.039 220 S CA 1.572 59.769 58.200 -0.006 0.000 1.033 220 S CB -0.375 62.825 63.200 -0.000 0.000 0.887 220 S HN 0.550 nan 8.310 nan 0.000 0.447 221 A N 1.414 124.234 122.820 -0.001 0.000 1.908 221 A HA -0.165 4.155 4.320 0.000 0.000 0.218 221 A C 2.166 179.750 177.584 -0.000 0.000 1.181 221 A CA 1.549 53.589 52.037 0.004 0.000 0.627 221 A CB -0.487 18.524 19.000 0.018 0.000 0.818 221 A HN 0.502 nan 8.150 nan 0.000 0.445 222 R N -0.610 119.879 120.500 -0.019 0.000 2.060 222 R HA -0.148 4.192 4.340 0.000 0.000 0.225 222 R C 2.508 178.791 176.300 -0.029 0.000 1.155 222 R CA 1.601 57.678 56.100 -0.039 0.000 0.930 222 R CB -0.599 29.651 30.300 -0.084 0.000 0.829 222 R HN 0.768 nan 8.270 nan 0.000 0.433 223 Q N 1.113 120.895 119.800 -0.030 0.000 2.404 223 Q HA -0.164 4.176 4.340 0.000 0.000 0.214 223 Q C 1.372 177.365 176.000 -0.013 0.000 0.992 223 Q CA 1.604 57.393 55.803 -0.022 0.000 0.899 223 Q CB -0.431 28.295 28.738 -0.020 0.000 0.921 223 Q HN 0.392 nan 8.270 nan 0.000 0.453 224 L N -0.483 120.735 121.223 -0.008 0.000 2.611 224 L HA 0.268 4.609 4.340 0.000 0.000 0.229 224 L C 0.811 177.684 176.870 0.005 0.000 1.137 224 L CA 0.392 55.230 54.840 -0.002 0.000 0.901 224 L CB -0.190 41.867 42.059 -0.003 0.000 1.098 224 L HN 0.683 nan 8.230 nan 0.000 0.456 225 G N 0.965 109.768 108.800 0.006 0.000 2.132 225 G HA2 -0.280 3.681 3.960 0.000 0.000 0.228 225 G HA3 -0.280 3.681 3.960 0.000 0.000 0.228 225 G C -0.199 174.730 174.900 0.047 0.000 1.000 225 G CA 0.079 45.190 45.100 0.018 0.000 0.693 225 G HN 0.223 nan 8.290 nan 0.000 0.515 226 L N 1.187 122.443 121.223 0.056 0.000 2.290 226 L HA 0.702 5.042 4.340 0.000 0.000 0.284 226 L C -1.970 175.009 176.870 0.182 0.000 1.078 226 L CA -2.036 52.878 54.840 0.124 0.000 0.815 226 L CB 0.818 42.931 42.059 0.091 0.000 1.162 226 L HN -0.109 nan 8.230 nan 0.000 0.435 227 P HA 0.043 nan 4.420 nan 0.000 0.259 227 P C 0.363 177.922 177.300 0.431 0.000 1.635 227 P CA -0.119 63.153 63.100 0.285 0.000 1.199 227 P CB 0.480 32.321 31.700 0.235 0.000 1.850 228 L N 3.186 124.558 121.223 0.250 0.000 1.955 228 L HA -0.100 4.241 4.340 0.000 0.000 0.213 228 L C 1.905 179.091 176.870 0.527 0.000 1.072 228 L CA 1.863 56.879 54.840 0.293 0.000 0.755 228 L CB -1.228 40.845 42.059 0.023 0.000 0.888 228 L HN 0.376 nan 8.230 nan 0.000 0.432 229 W N -1.299 120.091 121.300 0.150 0.000 2.302 229 W HA -0.366 4.294 4.660 0.000 0.000 0.320 229 W C 2.521 179.113 176.519 0.121 0.000 1.241 229 W CA 0.722 58.133 57.345 0.110 0.000 1.264 229 W CB -0.576 28.933 29.460 0.083 0.000 1.154 229 W HN 0.309 nan 8.180 nan 0.000 0.483 230 F N 0.005 120.100 119.950 0.241 0.000 2.005 230 F HA -0.302 4.225 4.527 0.000 0.000 0.297 230 F C 2.027 177.827 175.800 0.000 0.000 1.175 230 F CA 2.025 60.020 58.000 -0.008 0.000 1.192 230 F CB -1.416 37.450 39.000 -0.223 0.000 0.953 230 F HN -0.152 nan 8.300 nan 0.000 0.504 231 W N 0.772 122.148 121.300 0.127 0.000 2.292 231 W HA -0.236 4.424 4.660 0.000 0.000 0.304 231 W C 2.745 179.264 176.519 0.001 0.000 1.228 231 W CA 1.696 59.039 57.345 -0.002 0.000 1.241 231 W CB -0.554 29.012 29.460 0.176 0.000 1.142 231 W HN 0.037 nan 8.180 nan 0.000 0.520 232 R N 0.031 120.708 120.500 0.294 0.000 2.070 232 R HA -0.156 4.184 4.340 0.000 0.000 0.232 232 R C 1.983 178.317 176.300 0.056 0.000 1.138 232 R CA 1.692 57.903 56.100 0.185 0.000 0.936 232 R CB -0.910 29.515 30.300 0.208 0.000 0.839 232 R HN 0.248 nan 8.270 nan 0.000 0.429 233 N N 0.383 119.069 118.700 -0.022 0.000 2.120 233 N HA -0.139 4.601 4.740 0.000 0.000 0.188 233 N C 1.976 177.416 175.510 -0.117 0.000 1.024 233 N CA 1.248 54.244 53.050 -0.091 0.000 0.852 233 N CB -0.319 38.097 38.487 -0.118 0.000 1.003 233 N HN 0.024 nan 8.380 nan 0.000 0.424 234 V N 2.407 122.169 119.914 -0.253 0.000 2.252 234 V HA -0.223 3.897 4.120 0.000 0.000 0.249 234 V C 2.498 178.612 176.094 0.034 0.000 1.056 234 V CA 1.459 63.602 62.300 -0.260 0.000 1.022 234 V CB -0.649 30.837 31.823 -0.562 0.000 0.641 234 V HN 0.235 nan 8.190 nan 0.000 0.445 235 L N -0.422 120.888 121.223 0.144 0.000 2.131 235 L HA -0.140 4.200 4.340 0.000 0.000 0.210 235 L C 2.456 179.414 176.870 0.148 0.000 1.092 235 L CA 0.928 55.889 54.840 0.201 0.000 0.759 235 L CB -0.790 41.387 42.059 0.196 0.000 0.903 235 L HN 0.218 nan 8.230 nan 0.000 0.435 236 V N 0.353 120.328 119.914 0.102 0.000 2.332 236 V HA -0.336 3.784 4.120 0.000 0.000 0.248 236 V C 2.789 178.937 176.094 0.091 0.000 1.055 236 V CA 1.964 64.321 62.300 0.094 0.000 1.038 236 V CB -1.036 30.812 31.823 0.041 0.000 0.651 236 V HN 0.499 nan 8.190 nan 0.000 0.450 237 A N 0.220 123.081 122.820 0.069 0.000 1.832 237 A HA -0.084 4.237 4.320 0.000 0.000 0.214 237 A C 2.485 180.181 177.584 0.187 0.000 1.200 237 A CA 2.102 54.188 52.037 0.083 0.000 0.610 237 A CB -1.161 17.852 19.000 0.021 0.000 0.842 237 A HN 0.607 nan 8.150 nan 0.000 0.444 238 A N -1.093 121.856 122.820 0.216 0.000 1.997 238 A HA -0.172 4.149 4.320 0.000 0.000 0.221 238 A C 2.246 179.957 177.584 0.212 0.000 1.172 238 A CA 2.621 54.825 52.037 0.279 0.000 0.645 238 A CB -1.311 17.883 19.000 0.324 0.000 0.813 238 A HN 0.499 nan 8.150 nan 0.000 0.454 239 T N -0.603 114.053 114.554 0.170 0.000 2.643 239 T HA 0.061 4.412 4.350 0.000 0.000 0.256 239 T C 2.110 176.893 174.700 0.138 0.000 1.061 239 T CA 1.425 63.600 62.100 0.125 0.000 1.163 239 T CB -0.978 67.957 68.868 0.111 0.000 0.865 239 T HN 0.584 nan 8.240 nan 0.000 0.407 240 G N 1.113 109.993 108.800 0.135 0.000 2.545 240 G HA2 -0.234 3.726 3.960 0.000 0.000 0.222 240 G HA3 -0.234 3.726 3.960 0.000 0.000 0.222 240 G C 0.728 175.747 174.900 0.198 0.000 1.126 240 G CA 0.601 45.774 45.100 0.122 0.000 0.754 240 G HN 0.421 nan 8.290 nan 0.000 0.583 244 G N 1.001 109.848 108.800 0.077 0.000 2.553 244 G HA2 -0.232 3.729 3.960 0.000 0.000 0.218 244 G HA3 -0.232 3.729 3.960 0.000 0.000 0.218 244 G C 1.535 176.466 174.900 0.052 0.000 1.195 244 G CA 2.081 47.212 45.100 0.052 0.000 0.779 244 G HN 0.408 nan 8.290 nan 0.000 0.577 245 V N 1.014 121.003 119.914 0.126 0.000 2.252 245 V HA -0.241 3.880 4.120 0.000 0.000 0.249 245 V C 3.129 179.254 176.094 0.052 0.000 1.056 245 V CA 2.419 64.794 62.300 0.124 0.000 1.022 245 V CB -0.917 31.044 31.823 0.231 0.000 0.641 245 V HN 0.397 nan 8.190 nan 0.000 0.445 246 S N -0.172 115.555 115.700 0.045 0.000 2.387 246 S HA -0.196 4.274 4.470 0.000 0.000 0.230 246 S C 1.950 176.517 174.600 -0.055 0.000 1.035 246 S CA 1.709 59.913 58.200 0.007 0.000 1.014 246 S CB -0.333 62.882 63.200 0.026 0.000 0.836 246 S HN 0.425 nan 8.310 nan 0.000 0.466 247 V N 1.698 121.582 119.914 -0.049 0.000 2.358 247 V HA -0.130 3.990 4.120 0.000 0.000 0.246 247 V C 2.609 178.614 176.094 -0.149 0.000 1.047 247 V CA 1.563 63.807 62.300 -0.093 0.000 1.035 247 V CB -1.233 30.545 31.823 -0.075 0.000 0.658 247 V HN 0.539 nan 8.190 nan 0.000 0.452 248 A N -0.492 122.257 122.820 -0.118 0.000 1.972 248 A HA -0.151 4.169 4.320 0.000 0.000 0.219 248 A C 2.145 179.644 177.584 -0.142 0.000 1.169 248 A CA 1.844 53.794 52.037 -0.145 0.000 0.635 248 A CB -0.416 18.536 19.000 -0.081 0.000 0.810 248 A HN 0.436 nan 8.150 nan 0.000 0.446 249 L N -1.557 119.595 121.223 -0.117 0.000 2.084 249 L HA 0.259 4.599 4.340 0.000 0.000 0.202 249 L C 1.911 178.610 176.870 -0.285 0.000 1.074 249 L CA 2.076 56.833 54.840 -0.139 0.000 0.757 249 L CB -0.144 41.866 42.059 -0.081 0.000 0.918 249 L HN 0.289 nan 8.230 nan 0.000 0.444 250 A N -1.685 120.912 122.820 -0.373 0.000 2.568 250 A HA 0.618 4.938 4.320 0.000 0.000 0.287 250 A C 0.830 178.261 177.584 -0.255 0.000 0.967 250 A CA 0.215 51.931 52.037 -0.535 0.000 1.004 250 A CB -0.689 17.477 19.000 -1.391 0.000 1.233 250 A HN 0.597 nan 8.150 nan 0.000 0.513 251 G N 0.152 108.848 108.800 -0.173 0.000 2.569 251 G HA2 0.217 4.177 3.960 0.000 0.000 0.259 251 G HA3 0.217 4.177 3.960 0.000 0.000 0.259 251 G C 0.455 175.331 174.900 -0.040 0.000 1.263 251 G CA -0.173 44.878 45.100 -0.082 0.000 0.928 251 G HN 1.929 nan 8.290 nan 0.000 0.572 252 A N -0.052 122.782 122.820 0.023 0.000 2.506 252 A HA 0.678 4.998 4.320 0.000 0.000 0.320 252 A C 0.393 178.010 177.584 0.056 0.000 1.424 252 A CA -0.240 51.815 52.037 0.030 0.000 1.044 252 A CB -0.251 18.773 19.000 0.041 0.000 1.140 252 A HN 0.825 nan 8.150 nan 0.000 0.538 253 I N 2.069 122.673 120.570 0.056 0.000 2.437 253 I HA 0.622 4.792 4.170 0.000 0.000 0.298 253 I C 0.827 176.997 176.117 0.089 0.000 0.984 253 I CA -0.340 61.017 61.300 0.096 0.000 1.214 253 I CB 2.128 40.205 38.000 0.129 0.000 1.365 253 I HN 0.623 nan 8.210 nan 0.000 0.469 254 G N 3.014 111.892 108.800 0.130 0.000 2.660 254 G HA2 0.631 4.591 3.960 0.000 0.000 0.294 254 G HA3 0.631 4.591 3.960 0.000 0.000 0.294 254 G C -0.664 174.404 174.900 0.279 0.000 1.369 254 G CA -0.510 44.668 45.100 0.130 0.000 0.912 254 G HN 0.560 nan 8.290 nan 0.000 0.479 255 F N -0.967 118.955 119.950 -0.048 0.000 2.937 255 F HA -0.201 4.326 4.527 0.000 0.000 0.290 255 F C 1.467 177.250 175.800 -0.028 0.000 0.802 255 F CA 1.073 59.037 58.000 -0.061 0.000 1.336 255 F CB -1.365 37.610 39.000 -0.042 0.000 1.438 255 F HN 0.617 nan 8.300 nan 0.000 0.469 256 I N -4.689 115.949 120.570 0.114 0.000 4.607 256 I HA 0.435 4.605 4.170 0.000 0.000 0.324 256 I C 1.929 178.061 176.117 0.024 0.000 1.279 256 I CA 0.869 62.222 61.300 0.089 0.000 1.286 256 I CB -0.276 37.772 38.000 0.080 0.000 1.265 256 I HN 0.033 nan 8.210 nan 0.000 0.446 257 G N 2.116 110.905 108.800 -0.020 0.000 2.484 257 G HA2 -0.125 3.835 3.960 0.000 0.000 0.218 257 G HA3 -0.125 3.835 3.960 0.000 0.000 0.218 257 G C 1.439 176.276 174.900 -0.104 0.000 1.130 257 G CA 0.881 45.943 45.100 -0.063 0.000 0.784 257 G HN 0.336 nan 8.290 nan 0.000 0.543 258 L N 0.310 121.463 121.223 -0.117 0.000 2.121 258 L HA 0.217 4.557 4.340 0.000 0.000 0.200 258 L C 2.854 179.740 176.870 0.027 0.000 1.077 258 L CA 1.233 56.002 54.840 -0.119 0.000 0.766 258 L CB -0.561 41.311 42.059 -0.312 0.000 0.931 258 L HN 0.023 nan 8.230 nan 0.000 0.452 259 V N 0.199 120.174 119.914 0.101 0.000 2.229 259 V HA -0.260 3.860 4.120 0.000 0.000 0.243 259 V C 2.555 178.729 176.094 0.134 0.000 1.042 259 V CA 1.712 64.142 62.300 0.218 0.000 1.000 259 V CB -0.734 31.241 31.823 0.254 0.000 0.637 259 V HN 0.349 nan 8.190 nan 0.000 0.446 260 I N 0.259 120.874 120.570 0.076 0.000 2.181 260 I HA -0.209 3.962 4.170 0.000 0.000 0.247 260 I C 0.192 176.306 176.117 -0.006 0.000 1.081 260 I CA 2.229 63.553 61.300 0.040 0.000 1.340 260 I CB -2.805 35.210 38.000 0.026 0.000 1.036 260 I HN 0.346 nan 8.210 nan 0.000 0.417 261 P HA -0.133 nan 4.420 nan 0.000 0.213 261 P C 1.804 179.030 177.300 -0.123 0.000 1.170 261 P CA 1.575 64.585 63.100 -0.149 0.000 0.898 261 P CB -0.209 31.321 31.700 -0.283 0.000 0.787 262 H N -0.683 118.410 119.070 0.037 0.000 2.319 262 H HA -0.092 4.464 4.556 0.000 0.000 0.299 262 H C 2.200 177.533 175.328 0.008 0.000 1.092 262 H CA 1.174 57.240 56.048 0.031 0.000 1.302 262 H CB -1.252 28.560 29.762 0.082 0.000 1.373 262 H HN 0.118 nan 8.280 nan 0.000 0.497 263 I N 0.692 121.354 120.570 0.154 0.000 2.145 263 I HA -0.305 3.865 4.170 0.000 0.000 0.244 263 I C 2.462 178.556 176.117 -0.038 0.000 1.075 263 I CA 1.148 62.500 61.300 0.087 0.000 1.332 263 I CB -0.307 37.754 38.000 0.100 0.000 1.033 263 I HN 0.145 nan 8.210 nan 0.000 0.410 264 L N -0.083 121.098 121.223 -0.070 0.000 2.191 264 L HA -0.178 4.162 4.340 0.000 0.000 0.212 264 L C 2.695 179.449 176.870 -0.193 0.000 1.103 264 L CA 1.090 55.825 54.840 -0.174 0.000 0.769 264 L CB -0.549 41.438 42.059 -0.121 0.000 0.908 264 L HN 0.242 nan 8.230 nan 0.000 0.438 265 R N -0.561 119.879 120.500 -0.100 0.000 2.090 265 R HA -0.085 4.255 4.340 0.000 0.000 0.228 265 R C 2.180 178.413 176.300 -0.112 0.000 1.110 265 R CA 0.738 56.782 56.100 -0.093 0.000 0.973 265 R CB -0.202 30.091 30.300 -0.011 0.000 0.869 265 R HN 0.228 nan 8.270 nan 0.000 0.440 266 L N 0.605 121.775 121.223 -0.088 0.000 2.042 266 L HA -0.222 4.119 4.340 0.000 0.000 0.210 266 L C 2.280 179.054 176.870 -0.160 0.000 1.076 266 L CA 1.591 56.379 54.840 -0.087 0.000 0.749 266 L CB -1.020 41.024 42.059 -0.026 0.000 0.893 266 L HN 0.314 nan 8.230 nan 0.000 0.432 267 C N -0.416 118.686 119.300 -0.329 0.000 2.449 267 C HA 0.140 4.600 4.460 0.000 0.000 0.283 267 C C 1.786 176.495 174.990 -0.468 0.000 1.453 267 C CA 0.702 59.341 59.018 -0.631 0.000 1.779 267 C CB -1.171 25.668 27.740 -1.502 0.000 1.779 267 C HN 0.835 nan 8.230 nan 0.000 0.546 268 G N -0.335 108.290 108.800 -0.293 0.000 2.154 268 G HA2 -0.166 3.795 3.960 0.000 0.000 0.186 268 G HA3 -0.166 3.795 3.960 0.000 0.000 0.186 268 G C -0.121 174.676 174.900 -0.171 0.000 1.000 268 G CA -0.503 44.493 45.100 -0.175 0.000 0.664 268 G HN 0.475 nan 8.290 nan 0.000 0.513 269 L N 1.579 122.668 121.223 -0.224 0.000 2.282 269 L HA 0.517 4.857 4.340 0.000 0.000 0.287 269 L C 1.199 177.976 176.870 -0.156 0.000 1.075 269 L CA -0.062 54.678 54.840 -0.167 0.000 0.839 269 L CB 1.061 43.014 42.059 -0.176 0.000 1.219 269 L HN 0.150 nan 8.230 nan 0.000 0.434 270 T N -1.137 113.327 114.554 -0.150 0.000 3.125 270 T HA -0.003 4.347 4.350 0.000 0.000 0.252 270 T C 0.446 174.983 174.700 -0.270 0.000 0.981 270 T CA -0.119 61.865 62.100 -0.194 0.000 1.069 270 T CB 0.291 69.076 68.868 -0.138 0.000 1.091 270 T HN 0.528 nan 8.240 nan 0.000 0.460 271 D N 1.758 122.056 120.400 -0.170 0.000 2.472 271 D HA -0.073 4.568 4.640 0.000 0.000 0.248 271 D C 0.794 177.002 176.300 -0.152 0.000 1.174 271 D CA 0.294 54.209 54.000 -0.141 0.000 0.883 271 D CB 0.387 41.147 40.800 -0.067 0.000 1.149 271 D HN 0.339 nan 8.370 nan 0.000 0.488 272 H N 3.566 122.600 119.070 -0.059 0.000 2.557 272 H HA -0.114 4.442 4.556 0.000 0.000 0.287 272 H C 1.741 177.026 175.328 -0.073 0.000 1.043 272 H CA 0.674 56.680 56.048 -0.070 0.000 1.226 272 H CB 0.226 29.935 29.762 -0.088 0.000 1.361 272 H HN 0.512 nan 8.280 nan 0.000 0.592 273 R N 0.439 120.952 120.500 0.022 0.000 2.235 273 R HA -0.033 4.307 4.340 0.000 0.000 0.213 273 R C 1.489 177.786 176.300 -0.006 0.000 1.059 273 R CA 0.500 56.597 56.100 -0.005 0.000 0.997 273 R CB 0.381 30.672 30.300 -0.015 0.000 0.884 273 R HN 0.056 nan 8.270 nan 0.000 0.462 274 V N -0.272 119.635 119.914 -0.012 0.000 3.013 274 V HA -0.065 4.055 4.120 0.000 0.000 0.238 274 V C 1.640 177.726 176.094 -0.014 0.000 1.161 274 V CA 0.265 62.560 62.300 -0.009 0.000 1.170 274 V CB 0.221 32.036 31.823 -0.014 0.000 0.917 274 V HN 0.198 nan 8.190 nan 0.000 0.478 275 L N 0.248 121.449 121.223 -0.037 0.000 2.127 275 L HA -0.140 4.200 4.340 0.000 0.000 0.211 275 L C 2.062 178.940 176.870 0.014 0.000 1.089 275 L CA 2.003 56.822 54.840 -0.034 0.000 0.757 275 L CB -0.580 41.430 42.059 -0.082 0.000 0.899 275 L HN 0.222 nan 8.230 nan 0.000 0.434 276 L N -0.706 120.540 121.223 0.037 0.000 1.973 276 L HA -0.124 4.216 4.340 0.000 0.000 0.208 276 L C 0.049 176.922 176.870 0.005 0.000 1.073 276 L CA 1.279 56.130 54.840 0.020 0.000 0.746 276 L CB -2.113 39.945 42.059 -0.002 0.000 0.891 276 L HN 0.189 nan 8.230 nan 0.000 0.433 277 P HA -0.155 nan 4.420 nan 0.000 0.215 277 P C 1.574 178.886 177.300 0.019 0.000 1.157 277 P CA 1.827 64.933 63.100 0.010 0.000 0.874 277 P CB -0.249 31.459 31.700 0.013 0.000 0.790 278 G N -0.973 107.839 108.800 0.020 0.000 2.469 278 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 278 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 278 G C 1.680 176.591 174.900 0.017 0.000 1.150 278 G CA 1.014 46.129 45.100 0.026 0.000 0.763 278 G HN 0.259 nan 8.290 nan 0.000 0.561 279 C N 0.609 119.912 119.300 0.005 0.000 2.453 279 C HA 0.190 4.651 4.460 0.000 0.000 0.277 279 C C 3.542 178.537 174.990 0.009 0.000 1.262 279 C CA 0.902 59.921 59.018 0.002 0.000 1.718 279 C CB -0.970 26.767 27.740 -0.005 0.000 2.031 279 C HN 0.598 nan 8.230 nan 0.000 0.480 280 A N 0.493 123.318 122.820 0.008 0.000 1.873 280 A HA -0.186 4.134 4.320 0.000 0.000 0.218 280 A C 2.088 179.683 177.584 0.017 0.000 1.193 280 A CA 1.889 53.931 52.037 0.009 0.000 0.629 280 A CB -0.759 18.244 19.000 0.006 0.000 0.826 280 A HN 0.617 nan 8.150 nan 0.000 0.447 281 L N -1.045 120.194 121.223 0.026 0.000 1.994 281 L HA -0.185 4.155 4.340 0.000 0.000 0.208 281 L C 3.075 179.968 176.870 0.038 0.000 1.071 281 L CA 1.268 56.128 54.840 0.035 0.000 0.745 281 L CB -0.638 41.450 42.059 0.049 0.000 0.892 281 L HN 0.437 nan 8.230 nan 0.000 0.431 282 A N 0.080 122.925 122.820 0.043 0.000 2.067 282 A HA -0.046 4.274 4.320 0.000 0.000 0.219 282 A C 2.334 179.938 177.584 0.034 0.000 1.158 282 A CA 1.448 53.512 52.037 0.046 0.000 0.661 282 A CB -0.980 18.048 19.000 0.046 0.000 0.801 282 A HN 0.469 nan 8.150 nan 0.000 0.452 283 G N -0.419 108.396 108.800 0.025 0.000 2.394 283 G HA2 0.090 4.050 3.960 0.000 0.000 0.214 283 G HA3 0.090 4.050 3.960 0.000 0.000 0.214 283 G C 1.753 176.664 174.900 0.019 0.000 1.176 283 G CA 1.228 46.342 45.100 0.023 0.000 0.786 283 G HN 0.686 nan 8.290 nan 0.000 0.533 284 A N 1.571 124.399 122.820 0.013 0.000 1.841 284 A HA -0.083 4.237 4.320 0.000 0.000 0.216 284 A C 2.799 180.377 177.584 -0.009 0.000 1.199 284 A CA 3.113 55.150 52.037 -0.001 0.000 0.621 284 A CB -1.169 17.833 19.000 0.002 0.000 0.835 284 A HN 0.806 nan 8.150 nan 0.000 0.445 285 S N 0.619 116.323 115.700 0.006 0.000 2.359 285 S HA -0.177 4.293 4.470 0.000 0.000 0.222 285 S C 2.183 176.784 174.600 0.002 0.000 1.038 285 S CA 2.202 60.406 58.200 0.007 0.000 1.051 285 S CB -1.255 61.960 63.200 0.025 0.000 0.944 285 S HN 1.292 nan 8.310 nan 0.000 0.433 286 A N 1.848 124.678 122.820 0.016 0.000 1.915 286 A HA -0.143 4.177 4.320 0.000 0.000 0.220 286 A C 2.325 179.913 177.584 0.007 0.000 1.198 286 A CA 2.126 54.176 52.037 0.021 0.000 0.647 286 A CB -1.107 17.915 19.000 0.036 0.000 0.825 286 A HN 0.582 nan 8.150 nan 0.000 0.456 287 L N -0.677 120.543 121.223 -0.006 0.000 2.240 287 L HA 0.044 4.384 4.340 0.000 0.000 0.211 287 L C 2.264 179.077 176.870 -0.094 0.000 1.106 287 L CA 1.150 55.972 54.840 -0.030 0.000 0.793 287 L CB -0.415 41.631 42.059 -0.022 0.000 0.927 287 L HN 0.432 nan 8.230 nan 0.000 0.446 288 L N -1.634 119.532 121.223 -0.095 0.000 1.970 288 L HA -0.264 4.076 4.340 0.000 0.000 0.212 288 L C 2.443 179.268 176.870 -0.074 0.000 1.071 288 L CA 1.068 55.840 54.840 -0.114 0.000 0.751 288 L CB -0.763 41.252 42.059 -0.073 0.000 0.889 288 L HN 0.221 nan 8.230 nan 0.000 0.432 289 L N -0.030 121.172 121.223 -0.036 0.000 1.978 289 L HA -0.313 4.028 4.340 0.000 0.000 0.218 289 L C 2.942 179.801 176.870 -0.018 0.000 1.075 289 L CA 2.384 57.213 54.840 -0.017 0.000 0.767 289 L CB -1.792 40.265 42.059 -0.004 0.000 0.890 289 L HN 0.338 nan 8.230 nan 0.000 0.434 290 A N -0.241 122.570 122.820 -0.015 0.000 1.927 290 A HA -0.332 3.988 4.320 0.000 0.000 0.220 290 A C 2.118 179.699 177.584 -0.005 0.000 1.185 290 A CA 2.456 54.492 52.037 -0.002 0.000 0.639 290 A CB -0.845 18.163 19.000 0.014 0.000 0.820 290 A HN 0.518 nan 8.150 nan 0.000 0.451 291 D N -0.657 119.714 120.400 -0.049 0.000 2.084 291 D HA -0.084 4.557 4.640 0.000 0.000 0.196 291 D C 1.803 178.087 176.300 -0.027 0.000 0.985 291 D CA 1.281 55.243 54.000 -0.062 0.000 0.826 291 D CB -0.219 40.449 40.800 -0.221 0.000 0.978 291 D HN 0.449 nan 8.370 nan 0.000 0.456 292 I N -0.104 120.445 120.570 -0.035 0.000 2.145 292 I HA -0.307 3.863 4.170 0.000 0.000 0.244 292 I C 2.351 178.475 176.117 0.012 0.000 1.075 292 I CA 0.839 62.135 61.300 -0.006 0.000 1.332 292 I CB -0.224 37.776 38.000 -0.001 0.000 1.033 292 I HN 0.031 nan 8.210 nan 0.000 0.410 293 V N 0.933 120.852 119.914 0.009 0.000 2.287 293 V HA -0.319 3.801 4.120 0.000 0.000 0.248 293 V C 2.644 178.754 176.094 0.025 0.000 1.053 293 V CA 2.041 64.350 62.300 0.015 0.000 1.027 293 V CB -1.009 30.819 31.823 0.009 0.000 0.646 293 V HN 0.542 nan 8.190 nan 0.000 0.447 294 A N -0.624 122.215 122.820 0.032 0.000 2.070 294 A HA -0.241 4.079 4.320 0.000 0.000 0.220 294 A C 2.398 180.017 177.584 0.059 0.000 1.159 294 A CA 1.893 53.961 52.037 0.052 0.000 0.656 294 A CB -0.553 18.492 19.000 0.076 0.000 0.800 294 A HN 0.490 nan 8.150 nan 0.000 0.453 295 R N -0.830 119.698 120.500 0.047 0.000 2.127 295 R HA 0.121 4.461 4.340 0.000 0.000 0.217 295 R C 1.537 177.866 176.300 0.049 0.000 1.074 295 R CA 1.068 57.197 56.100 0.048 0.000 0.991 295 R CB -0.100 30.222 30.300 0.036 0.000 0.895 295 R HN 0.565 nan 8.270 nan 0.000 0.450 296 L N -1.502 119.747 121.223 0.044 0.000 2.445 296 L HA 0.286 4.626 4.340 0.000 0.000 0.207 296 L C 2.426 179.319 176.870 0.038 0.000 1.053 296 L CA 0.493 55.360 54.840 0.045 0.000 0.841 296 L CB -0.489 41.596 42.059 0.043 0.000 1.074 296 L HN 0.063 nan 8.230 nan 0.000 0.479 297 A N 1.020 123.858 122.820 0.031 0.000 2.023 297 A HA -0.156 4.164 4.320 0.000 0.000 0.223 297 A C 1.153 178.752 177.584 0.024 0.000 1.180 297 A CA 1.471 53.522 52.037 0.023 0.000 0.659 297 A CB -0.644 18.367 19.000 0.018 0.000 0.817 297 A HN 0.381 nan 8.150 nan 0.000 0.466 298 L N -2.480 118.761 121.223 0.030 0.000 2.471 298 L HA 0.442 4.783 4.340 0.000 0.000 0.263 298 L C 1.113 178.004 176.870 0.035 0.000 0.985 298 L CA -0.159 54.698 54.840 0.028 0.000 0.868 298 L CB 1.515 43.590 42.059 0.026 0.000 1.203 298 L HN 0.147 nan 8.230 nan 0.000 0.429 299 A N 2.130 124.970 122.820 0.034 0.000 2.076 299 A HA -0.132 4.188 4.320 0.000 0.000 0.220 299 A C 2.251 179.857 177.584 0.036 0.000 1.160 299 A CA 2.102 54.161 52.037 0.038 0.000 0.653 299 A CB -0.075 18.947 19.000 0.037 0.000 0.801 299 A HN 0.821 nan 8.150 nan 0.000 0.455 300 A N -1.104 121.735 122.820 0.033 0.000 1.929 300 A HA 0.506 4.827 4.320 0.000 0.000 0.216 300 A C 1.208 178.816 177.584 0.040 0.000 1.176 300 A CA 1.498 53.554 52.037 0.031 0.000 0.628 300 A CB -0.379 18.636 19.000 0.025 0.000 0.816 300 A HN 1.487 nan 8.150 nan 0.000 0.444 301 A N -0.766 122.085 122.820 0.051 0.000 2.520 301 A HA 0.563 4.884 4.320 0.000 0.000 0.298 301 A C -0.650 176.991 177.584 0.094 0.000 1.051 301 A CA -0.450 51.634 52.037 0.077 0.000 0.690 301 A CB 0.688 19.743 19.000 0.093 0.000 1.281 301 A HN 0.280 nan 8.150 nan 0.000 0.402 302 E N 1.918 122.190 120.200 0.119 0.000 2.344 302 E HA 0.355 4.705 4.350 0.000 0.000 0.270 302 E C -0.654 176.051 176.600 0.175 0.000 1.021 302 E CA -0.254 56.221 56.400 0.125 0.000 0.887 302 E CB 0.426 30.189 29.700 0.105 0.000 0.997 302 E HN 0.592 nan 8.360 nan 0.000 0.429 303 L N 6.275 127.568 121.223 0.117 0.000 2.426 303 L HA 0.189 4.529 4.340 0.000 0.000 0.271 303 L C -1.977 174.967 176.870 0.124 0.000 1.169 303 L CA -1.950 52.945 54.840 0.090 0.000 0.836 303 L CB 0.410 42.500 42.059 0.052 0.000 1.112 303 L HN 0.469 nan 8.230 nan 0.000 0.465 304 P HA -0.015 nan 4.420 nan 0.000 0.264 304 P C 1.023 178.388 177.300 0.110 0.000 1.229 304 P CA -0.160 63.002 63.100 0.104 0.000 0.780 304 P CB 0.397 32.085 31.700 -0.020 0.000 0.808 305 I N 3.896 124.567 120.570 0.167 0.000 2.191 305 I HA -0.299 3.872 4.170 0.000 0.000 0.248 305 I C 2.121 178.311 176.117 0.122 0.000 1.061 305 I CA 2.330 63.733 61.300 0.170 0.000 1.329 305 I CB -1.411 36.767 38.000 0.297 0.000 1.024 305 I HN 0.461 nan 8.210 nan 0.000 0.423 306 G N -0.007 108.861 108.800 0.115 0.000 2.529 306 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 306 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 306 G C 1.787 176.716 174.900 0.049 0.000 1.177 306 G CA 1.519 46.673 45.100 0.091 0.000 0.773 306 G HN 0.352 nan 8.290 nan 0.000 0.573 307 V N 0.565 120.494 119.914 0.025 0.000 2.278 307 V HA -0.249 3.872 4.120 0.000 0.000 0.251 307 V C 3.029 179.107 176.094 -0.026 0.000 1.062 307 V CA 1.822 64.116 62.300 -0.010 0.000 1.038 307 V CB -0.840 30.973 31.823 -0.016 0.000 0.646 307 V HN 0.274 nan 8.190 nan 0.000 0.447 308 V N 0.891 120.805 119.914 0.000 0.000 2.214 308 V HA -0.339 3.781 4.120 0.000 0.000 0.247 308 V C 2.869 178.946 176.094 -0.029 0.000 1.051 308 V CA 3.005 65.300 62.300 -0.007 0.000 1.003 308 V CB -1.585 30.250 31.823 0.019 0.000 0.635 308 V HN 0.842 nan 8.190 nan 0.000 0.447 309 T N -0.452 114.104 114.554 0.004 0.000 2.714 309 T HA -0.294 4.056 4.350 0.000 0.000 0.268 309 T C 1.799 176.432 174.700 -0.111 0.000 1.036 309 T CA 2.206 64.310 62.100 0.007 0.000 1.148 309 T CB -0.638 68.281 68.868 0.085 0.000 0.856 309 T HN 0.561 nan 8.240 nan 0.000 0.462 310 A N 1.410 124.124 122.820 -0.178 0.000 1.872 310 A HA 0.037 4.357 4.320 0.000 0.000 0.214 310 A C 2.705 180.000 177.584 -0.482 0.000 1.187 310 A CA 1.992 53.719 52.037 -0.517 0.000 0.614 310 A CB -1.396 17.449 19.000 -0.259 0.000 0.826 310 A HN 0.562 nan 8.150 nan 0.000 0.442 311 T N 0.916 115.331 114.554 -0.232 0.000 2.684 311 T HA -0.145 4.206 4.350 0.000 0.000 0.267 311 T C 1.772 176.384 174.700 -0.146 0.000 1.036 311 T CA 1.764 63.769 62.100 -0.158 0.000 1.148 311 T CB -0.446 68.371 68.868 -0.086 0.000 0.863 311 T HN 0.391 nan 8.240 nan 0.000 0.436 312 L N 0.377 121.527 121.223 -0.122 0.000 2.179 312 L HA 0.153 4.493 4.340 0.000 0.000 0.208 312 L C 2.981 179.807 176.870 -0.074 0.000 1.096 312 L CA 0.911 55.707 54.840 -0.072 0.000 0.779 312 L CB -1.131 40.907 42.059 -0.036 0.000 0.922 312 L HN 0.318 nan 8.230 nan 0.000 0.443 313 G N 0.492 109.182 108.800 -0.183 0.000 2.552 313 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 313 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 313 G C 1.817 176.676 174.900 -0.069 0.000 1.240 313 G CA 1.035 46.041 45.100 -0.156 0.000 0.796 313 G HN 0.404 nan 8.290 nan 0.000 0.568 314 A N 1.864 124.449 122.820 -0.393 0.000 1.909 314 A HA -0.119 4.201 4.320 0.000 0.000 0.221 314 A C 0.851 178.546 177.584 0.185 0.000 1.223 314 A CA 2.694 54.743 52.037 0.020 0.000 0.658 314 A CB -1.543 17.408 19.000 -0.081 0.000 0.831 314 A HN 0.425 nan 8.150 nan 0.000 0.462 315 P HA -0.129 nan 4.420 nan 0.000 0.212 315 P C 1.760 179.169 177.300 0.183 0.000 1.180 315 P CA 2.237 65.402 63.100 0.108 0.000 0.906 315 P CB -0.439 31.284 31.700 0.038 0.000 0.782 316 V N -3.690 116.329 119.914 0.174 0.000 2.982 316 V HA -0.222 3.898 4.120 0.000 0.000 0.265 316 V C 1.976 178.291 176.094 0.369 0.000 1.122 316 V CA 1.612 64.056 62.300 0.240 0.000 1.143 316 V CB -1.852 30.082 31.823 0.186 0.000 0.726 316 V HN -0.043 nan 8.190 nan 0.000 0.507 317 F N 0.518 120.592 119.950 0.207 0.000 2.179 317 F HA 0.172 4.699 4.527 0.000 0.000 0.292 317 F C 2.139 178.038 175.800 0.164 0.000 1.089 317 F CA 0.934 59.058 58.000 0.207 0.000 1.295 317 F CB -0.098 39.059 39.000 0.263 0.000 1.041 317 F HN 0.014 nan 8.300 nan 0.000 0.487 318 I N -0.520 120.110 120.570 0.100 0.000 2.118 318 I HA -0.353 3.817 4.170 0.000 0.000 0.241 318 I C 2.291 178.392 176.117 -0.026 0.000 1.070 318 I CA 1.747 63.032 61.300 -0.025 0.000 1.327 318 I CB -1.709 36.345 38.000 0.091 0.000 1.034 318 I HN 0.421 nan 8.210 nan 0.000 0.405 319 W N 1.837 123.098 121.300 -0.065 0.000 2.318 319 W HA -0.231 4.429 4.660 0.000 0.000 0.313 319 W C 2.575 179.037 176.519 -0.094 0.000 1.221 319 W CA 1.654 58.965 57.345 -0.056 0.000 1.266 319 W CB -0.626 28.826 29.460 -0.012 0.000 1.150 319 W HN 0.030 nan 8.180 nan 0.000 0.496 320 L N -0.061 121.149 121.223 -0.021 0.000 2.127 320 L HA -0.282 4.058 4.340 0.000 0.000 0.211 320 L C 2.450 179.091 176.870 -0.381 0.000 1.089 320 L CA 1.262 55.977 54.840 -0.208 0.000 0.757 320 L CB -0.965 41.075 42.059 -0.032 0.000 0.899 320 L HN 0.099 nan 8.230 nan 0.000 0.434 321 L N -0.710 120.252 121.223 -0.436 0.000 2.093 321 L HA -0.218 4.122 4.340 0.000 0.000 0.208 321 L C 2.442 179.121 176.870 -0.319 0.000 1.085 321 L CA 1.103 55.698 54.840 -0.408 0.000 0.755 321 L CB -0.347 41.459 42.059 -0.422 0.000 0.904 321 L HN 0.296 nan 8.230 nan 0.000 0.435 322 L N -0.511 120.511 121.223 -0.334 0.000 2.109 322 L HA -0.156 4.184 4.340 0.000 0.000 0.207 322 L C 2.613 179.255 176.870 -0.380 0.000 1.086 322 L CA 0.723 55.379 54.840 -0.307 0.000 0.760 322 L CB -0.406 41.490 42.059 -0.272 0.000 0.910 322 L HN 0.170 nan 8.230 nan 0.000 0.437 323 K N 1.323 121.376 120.400 -0.578 0.000 2.001 323 K HA 0.015 4.335 4.320 0.000 0.000 0.208 323 K C 1.167 177.557 176.600 -0.349 0.000 1.048 323 K CA 1.106 57.047 56.287 -0.576 0.000 0.932 323 K CB -0.416 31.532 32.500 -0.921 0.000 0.715 323 K HN 0.179 nan 8.250 nan 0.000 0.437 324 A N 0.000 122.630 122.820 -0.317 0.000 2.254 324 A HA 0.000 4.320 4.320 0.000 0.000 0.244 324 A CA 0.000 51.903 52.037 -0.223 0.000 0.836 324 A CB 0.000 18.864 19.000 -0.227 0.000 0.831 324 A HN 0.000 nan 8.150 nan 0.000 0.486